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

Systemtic Name: (5E)-5-[[(4-chlorophenyl)amino]-oxidanyl-methylidene]-2,2-bis(oxidanylidene)-1-phenethyl-2$l^{6},1-benzothiazepin-4-one Openeye Name: (5E)-5-[(4-chloroanilino)-hydroxy-methylene]-2,2-dioxo-1-phenethyl-2$l^{6},1-benzothiazepin-4-one CAS Name: (5E)-5-[(4-chloroanilino)-hydroxymethylidene]-2,2-dioxo-1-phenethyl-2$l^{6},1-benzothiazepin-4-one IUPAC Name: (5E)-5-[(4-chloroanilino)-hydroxymethylidene]-2,2-dioxo-1-phenethyl-2$l^{6},1-benzothiazepin-4-one Traditional Name: (5E)-5-[(4-chloroanilino)-hydroxy-methylene]-2,2-diketo-1-phenethyl-2$l^{6},1-benzothiazepin-4-one Formula: C24H21ClN2O4S MolecularWeight: 468.95254

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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)CCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)/C(=C(\NC2=CC=C(C=C2)Cl)/O)/C3=CC=CC=C3N(S1(=O)=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H21ClN2O4S/c25-18-10-12-19(13-11-18)26-24(29)23-20-8-4-5-9-21(20)27(32(30,31)16-22(23)28)15-14-17-6-2-1-3-7-17/h1-13,26,29H,14-16H2/b24-23+