5-[(3-azanyl-4-cyano-5-phenylazanyl-thiophen-2-yl)carbonylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(3-azanyl-4-cyano-5-phenylazanyl-thiophen-2-yl)carbonylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(3-amino-5-anilino-4-cyano-thiophene-2-carbonyl)amino]-2-chloro-benzoic acid CAS Name: 5-[[(3-amino-5-anilino-4-cyano-2-thiophenyl)-oxomethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]-2-chlorobenzoic acid Traditional Name: 5-[(3-amino-5-anilino-4-cyano-thiophene-2-carbonyl)amino]-2-chloro-benzoic acid Formula: C19H13ClN4O3S MolecularWeight: 412.84952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)O)N)C#N

InChI

InChI=1S/C19H13ClN4O3S/c20-14-7-6-11(8-12(14)19(26)27)23-17(25)16-15(22)13(9-21)18(28-16)24-10-4-2-1-3-5-10/h1-8,24H,22H2,(H,23,25)(H,26,27)