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

Systemtic Name: N-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]morpholine-4-carboxamide Openeye Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]morpholine-4-carboxamide CAS Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-4-morpholinecarboxamide IUPAC Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]morpholine-4-carboxamide Traditional Name: N-[(4S,4aR,7R,8R,8aS)-7-hydroxy-4-[2-keto-2-(4-methylpiperidino)ethyl]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]morpholine-4-carboxamide Formula: C27H42N4O5S MolecularWeight: 534.71118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NC(=O)N5CCOCC5

Isomeric SMILES

CC1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NC(=O)N5CCOCC5

InChI

InChI=1S/C27H42N4O5S/c1-17-5-8-30(9-6-17)22(34)14-18-23-19(15-20-26(18,2)7-4-21(33)27(20,3)16-32)37-24(28-23)29-25(35)31-10-12-36-13-11-31/h17-18,20-21,32-33H,4-16H2,1-3H3,(H,28,29,35)/t18-,20+,21-,26+,27+/m1/s1