2-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)ethanamide

Systemtic Name: 2-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)ethanamide Openeye Name: 2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)acetamide CAS Name: 2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)acetamide IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)acetamide Traditional Name: 2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-4a,8-dimethyl-8-methylol-2-phenyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)acetamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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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)C4=CC=CC=C4

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)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3O4S/c1-16(31)27-11-12-28-22(33)13-18-23-19(34-24(29-23)17-7-5-4-6-8-17)14-20-25(18,2)10-9-21(32)26(20,3)15-30/h4-8,18,20-21,30,32H,9-15H2,1-3H3,(H,27,31)(H,28,33)/t18-,20+,21-,25+,26+/m1/s1