2-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-4a,8-dimethyl-7-oxidanyl-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)-2-[2-(4-methoxyphenyl)ethanoylamino]-4a,8-dimethyl-7-oxidanyl-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)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4a,8-dimethyl-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)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4a,8-dimethyl-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)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4a,8-dimethyl-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-2-[[2-(4-methoxyphenyl)acetyl]amino]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-acetamidoethyl)acetamide Formula: C29H40N4O6S MolecularWeight: 572.7161

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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)CC4=CC=C(C=C4)OC

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)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H40N4O6S/c1-17(35)30-11-12-31-24(37)14-20-26-21(15-22-28(20,2)10-9-23(36)29(22,3)16-34)40-27(33-26)32-25(38)13-18-5-7-19(39-4)8-6-18/h5-8,20,22-23,34,36H,9-16H2,1-4H3,(H,30,35)(H,31,37)(H,32,33,38)/t20-,22+,23-,28+,29+/m1/s1