(5E)-5-[[(4-chlorophenyl)amino]-oxidanyl-methylidene]-2,2-bis(oxidanylidene)-1-(phenylmethyl)-2$l^{6},1-benzothiazepin-4-one

Systemtic Name: (5E)-5-[[(4-chlorophenyl)amino]-oxidanyl-methylidene]-2,2-bis(oxidanylidene)-1-(phenylmethyl)-2$l^{6},1-benzothiazepin-4-one Openeye Name: (5E)-1-benzyl-5-[(4-chloroanilino)-hydroxy-methylene]-2,2-dioxo-2$l^{6},1-benzothiazepin-4-one CAS Name: (5E)-5-[(4-chloroanilino)-hydroxymethylidene]-2,2-dioxo-1-(phenylmethyl)-2$l^{6},1-benzothiazepin-4-one IUPAC Name: (5E)-1-benzyl-5-[(4-chloroanilino)-hydroxymethylidene]-2,2-dioxo-2$l^{6},1-benzothiazepin-4-one Traditional Name: (5E)-1-benzyl-5-[(4-chloroanilino)-hydroxy-methylene]-2,2-diketo-2$l^{6},1-benzothiazepin-4-one Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(NC2=CC=C(C=C2)Cl)O)C3=CC=CC=C3N(S1(=O)=O)CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)/C(=C(\NC2=CC=C(C=C2)Cl)/O)/C3=CC=CC=C3N(S1(=O)=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H19ClN2O4S/c24-17-10-12-18(13-11-17)25-23(28)22-19-8-4-5-9-20(19)26(31(29,30)15-21(22)27)14-16-6-2-1-3-7-16/h1-13,25,28H,14-15H2/b23-22+