N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-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)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-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)-7-hydroxy-8-(hydroxymethyl)-4-[2-(isopropylamino)-2-oxo-ethyl]-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)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-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)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(propan-2-ylamino)ethyl]-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)-7-hydroxy-4-[2-(isopropylamino)-2-keto-ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-isonicotinamide Formula: C25H33ClN4O4S MolecularWeight: 521.07192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=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/C25H33ClN4O4S/c1-13(2)28-20(33)10-15-21-16(11-17-24(15,3)7-5-18(32)25(17,4)12-31)35-23(29-21)30-22(34)14-6-8-27-19(26)9-14/h6,8-9,13,15,17-18,31-32H,5,7,10-12H2,1-4H3,(H,28,33)(H,29,30,34)/t15-,17+,18-,24+,25+/m1/s1