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

Systemtic Name: 2-[(3-azanyl-4-cyano-5-phenylazanyl-thiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(3-amino-5-anilino-4-cyano-thiophene-2-carbonyl)amino]benzoic acid CAS Name: 2-[[(3-amino-5-anilino-4-cyano-2-thiophenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(3-amino-5-anilino-4-cyanothiophene-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(3-amino-5-anilino-4-cyano-thiophene-2-carbonyl)amino]benzoic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=CC=C3C(=O)O)N)C#N

InChI

InChI=1S/C19H14N4O3S/c20-10-13-15(21)16(27-18(13)22-11-6-2-1-3-7-11)17(24)23-14-9-5-4-8-12(14)19(25)26/h1-9,22H,21H2,(H,23,24)(H,25,26)