N-[(4S,4aR,7R,8R,8aS)-4-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(2-acetamidoethylamino)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-pyridine-4-carboxamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(2-acetamidoethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-4-pyridinecarboxamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(2-acetamidoethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloropyridine-4-carboxamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-4-[2-(2-acetamidoethylamino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-isonicotinamide Formula: C26H34ClN5O5S MolecularWeight: 564.09666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CC1C2=C(CC3C1(CCC(C3(C)CO)O)C)SC(=N2)NC(=O)C4=CC(=NC=C4)Cl

Isomeric SMILES

CC(=O)NCCNC(=O)C[C@@H]1C2=C(C[C@H]3[C@]1(CC[C@H]([C@@]3(C)CO)O)C)SC(=N2)NC(=O)C4=CC(=NC=C4)Cl

InChI

InChI=1S/C26H34ClN5O5S/c1-14(34)28-8-9-30-21(36)11-16-22-17(12-18-25(16,2)6-4-19(35)26(18,3)13-33)38-24(31-22)32-23(37)15-5-7-29-20(27)10-15/h5,7,10,16,18-19,33,35H,4,6,8-9,11-13H2,1-3H3,(H,28,34)(H,30,36)(H,31,32,37)/t16-,18+,19-,25+,26+/m1/s1