4-[[3-chloranyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-4-(thiophen-2-ylcarbonylamino)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-chloro-4-[[oxo(thiophen-2-yl)methyl]amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-chloro-4-(thiophene-2-carbonylamino)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-chloro-4-(2-thenoylamino)anilino]-4-keto-butyric acid Formula: C15H13ClN2O4S MolecularWeight: 352.79272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C15H13ClN2O4S/c16-10-8-9(17-13(19)5-6-14(20)21)3-4-11(10)18-15(22)12-2-1-7-23-12/h1-4,7-8H,5-6H2,(H,17,19)(H,18,22)(H,20,21)