N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(homoveratrylamino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]thiophene-2-carboxamide Formula: C31H39N3O6S2 MolecularWeight: 613.78786

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C(S3)NC(=O)C5=CC=CS5)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCCC4=CC(=C(C=C4)OC)OC)N=C(S3)NC(=O)C5=CC=CS5)(C)CO)O

InChI

InChI=1S/C31H39N3O6S2/c1-30-11-9-25(36)31(2,17-35)24(30)16-23-27(33-29(42-23)34-28(38)22-6-5-13-41-22)19(30)15-26(37)32-12-10-18-7-8-20(39-3)21(14-18)40-4/h5-8,13-14,19,24-25,35-36H,9-12,15-17H2,1-4H3,(H,32,37)(H,33,34,38)