(5Z)-1-[(4-chlorophenyl)methyl]-5-[[(4-methylsulfanylphenyl)amino]-oxidanyl-methylidene]-2,2-bis(oxidanylidene)-8-(trifluoromethyl)-2$l^{6},1-benzothiazepin-4-one

Systemtic Name: (5Z)-1-[(4-chlorophenyl)methyl]-5-[[(4-methylsulfanylphenyl)amino]-oxidanyl-methylidene]-2,2-bis(oxidanylidene)-8-(trifluoromethyl)-2$l^{6},1-benzothiazepin-4-one Openeye Name: (5Z)-1-[(4-chlorophenyl)methyl]-5-[hydroxy-(4-methylsulfanylanilino)methylene]-2,2-dioxo-8-(trifluoromethyl)-2$l^{6},1-benzothiazepin-4-one CAS Name: (5Z)-1-[(4-chlorophenyl)methyl]-5-[hydroxy-[4-(methylthio)anilino]methylidene]-2,2-dioxo-8-(trifluoromethyl)-2$l^{6},1-benzothiazepin-4-one IUPAC Name: (5Z)-1-[(4-chlorophenyl)methyl]-5-[hydroxy-(4-methylsulfanylanilino)methylidene]-2,2-dioxo-8-(trifluoromethyl)-2$l^{6},1-benzothiazepin-4-one Traditional Name: (5Z)-1-(4-chlorobenzyl)-5-[hydroxy-[4-(methylthio)anilino]methylene]-2,2-diketo-8-(trifluoromethyl)-2$l^{6},1-benzothiazepin-4-one Formula: C25H20ClF3N2O4S2 MolecularWeight: 569.01551

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=C2C(=O)CS(=O)(=O)N(C3=C2C=CC(=C3)C(F)(F)F)CC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CSC1=CC=C(C=C1)N/C(=C\2/C(=O)CS(=O)(=O)N(C3=C2C=CC(=C3)C(F)(F)F)CC4=CC=C(C=C4)Cl)/O

InChI

InChI=1S/C25H20ClF3N2O4S2/c1-36-19-9-7-18(8-10-19)30-24(33)23-20-11-4-16(25(27,28)29)12-21(20)31(37(34,35)14-22(23)32)13-15-2-5-17(26)6-3-15/h2-12,30,33H,13-14H2,1H3/b24-23-