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

Systemtic Name: 2-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(2,4-dimethoxyphenyl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(2,4-dimethoxyphenyl)-4-thiophen-2-yl-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(2,4-dimethoxyphenyl)-4-(2-thienyl)-2,5-dihydro-1,5-benzothiazepine Formula: C21H19NO2S2 MolecularWeight: 381.51106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2C=C(NC3=CC=CC=C3S2)C4=CC=CS4)OC

InChI

InChI=1S/C21H19NO2S2/c1-23-14-9-10-15(18(12-14)24-2)21-13-17(19-8-5-11-25-19)22-16-6-3-4-7-20(16)26-21/h3-13,21-22H,1-2H3