4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine

Systemtic Name: 4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine Openeye Name: 4-(2-thienyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine CAS Name: 4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine IUPAC Name: 4-thiophen-2-yl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine Traditional Name: 4-(2-thienyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2CC(=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C22H21NO3S2/c1-24-17-11-14(12-18(25-2)22(17)26-3)21-13-16(19-9-6-10-27-19)23-15-7-4-5-8-20(15)28-21/h4-12,21H,13H2,1-3H3