7,8-dimethoxy-2-(4-methylsulfanylphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one

Systemtic Name: 7,8-dimethoxy-2-(4-methylsulfanylphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one Openeye Name: 7,8-dimethoxy-2-(4-methylsulfanylphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one CAS Name: 7,8-dimethoxy-2-[4-(methylthio)phenyl]-1,2-dihydro-3,1-benzothiazepin-5-one IUPAC Name: 7,8-dimethoxy-2-(4-methylsulfanylphenyl)-1,2-dihydro-3,1-benzothiazepin-5-one Traditional Name: 7,8-dimethoxy-2-[4-(methylthio)phenyl]-1,2-dihydro-3,1-benzothiazepin-5-one Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)CSC(N2)C3=CC=C(C=C3)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)CSC(N2)C3=CC=C(C=C3)SC)OC

InChI

InChI=1S/C18H19NO3S2/c1-21-16-8-13-14(9-17(16)22-2)19-18(24-10-15(13)20)11-4-6-12(23-3)7-5-11/h4-9,18-19H,10H2,1-3H3