2-(2,4-dimethoxyphenyl)-8-methoxy-5-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 2-(2,4-dimethoxyphenyl)-8-methoxy-5-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 2-(2,4-dimethoxyphenyl)-8-methoxy-5-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 2-(2,4-dimethoxyphenyl)-8-methoxy-5-[[4-(methylthio)phenyl]methyl]-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 2-(2,4-dimethoxyphenyl)-8-methoxy-5-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 2-(2,4-dimethoxyphenyl)-8-methoxy-5-[4-(methylthio)benzyl]-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C26H27NO4S2 MolecularWeight: 481.62688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CC(=O)N(C3=C(S2)C=C(C=C3)OC)CC4=CC=C(C=C4)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CC(=O)N(C3=C(S2)C=C(C=C3)OC)CC4=CC=C(C=C4)SC)OC

InChI

InChI=1S/C26H27NO4S2/c1-29-18-7-11-21(23(13-18)31-3)24-15-26(28)27(16-17-5-9-20(32-4)10-6-17)22-12-8-19(30-2)14-25(22)33-24/h5-14,24H,15-16H2,1-4H3