5-(phenylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(phenylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-benzyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(phenylmethyl)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-benzyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-benzyl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CCN(C3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C25H27NO3S/c1-27-21-15-19(16-22(28-2)25(21)29-3)23-13-14-26(17-18-9-5-4-6-10-18)20-11-7-8-12-24(20)30-23/h4-12,15-16,23H,13-14,17H2,1-3H3