5-(cyclohexylmethyl)-8-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(cyclohexylmethyl)-8-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(cyclohexylmethyl)-8-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(cyclohexylmethyl)-8-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(cyclohexylmethyl)-8-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(cyclohexylmethyl)-8-ethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(CCC(S2)C3=CC(=C(C(=C3)OC)OC)OC)CC4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(CCC(S2)C3=CC(=C(C(=C3)OC)OC)OC)CC4CCCCC4

InChI

InChI=1S/C27H37NO4S/c1-5-32-21-11-12-22-26(17-21)33-25(13-14-28(22)18-19-9-7-6-8-10-19)20-15-23(29-2)27(31-4)24(16-20)30-3/h11-12,15-17,19,25H,5-10,13-14,18H2,1-4H3