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

Systemtic Name: 4-[[3-azanyl-4-cyano-5-[(4-methylphenyl)amino]thiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-amino-4-cyano-5-(4-methylanilino)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-amino-4-cyano-5-(4-methylanilino)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-amino-4-cyano-5-(4-methylanilino)thiophene-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-amino-4-cyano-5-(p-toluidino)thiophene-2-carbonyl]amino]benzoic acid Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)N)C#N

InChI

InChI=1S/C20H16N4O3S/c1-11-2-6-14(7-3-11)24-19-15(10-21)16(22)17(28-19)18(25)23-13-8-4-12(5-9-13)20(26)27/h2-9,24H,22H2,1H3,(H,23,25)(H,26,27)