5-chloranyl-2-[[(E)-[1-[(4-chlorophenyl)methyl]-2,2,4-tris(oxidanylidene)-2$l^{6},1-benzothiazepin-5-ylidene]-oxidanyl-methyl]amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[(E)-[1-[(4-chlorophenyl)methyl]-2,2,4-tris(oxidanylidene)-2$l^{6},1-benzothiazepin-5-ylidene]-oxidanyl-methyl]amino]benzoic acid Openeye Name: 5-chloro-2-[[(E)-[1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-2$l^{6},1-benzothiazepin-5-ylidene]-hydroxy-methyl]amino]benzoic acid CAS Name: 5-chloro-2-[[(E)-[1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-2$l^{6},1-benzothiazepin-5-ylidene]-hydroxymethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[(E)-[1-[(4-chlorophenyl)methyl]-2,2,4-trioxo-2$l^{6},1-benzothiazepin-5-ylidene]-hydroxymethyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[(E)-[1-(4-chlorobenzyl)-2,2,4-triketo-2$l^{6},1-benzothiazepin-5-ylidene]-hydroxy-methyl]amino]benzoic acid Formula: C24H18Cl2N2O6S MolecularWeight: 533.38052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18Cl2N2O6S/c25-15-7-5-14(6-8-15)12-28-20-4-2-1-3-17(20)22(21(29)13-35(28,33)34)23(30)27-19-10-9-16(26)11-18(19)24(31)32/h1-11,27,30H,12-13H2,(H,31,32)/b23-22+