4-methyl-2-[[(5Z)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 4-methyl-2-[[(5Z)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-methyl-2-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylene)thiazol-2-yl]amino]benzoic acid CAS Name: 4-methyl-2-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-methyl-2-[[(5Z)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 2-[[(5Z)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thiazolin-2-yl]amino]-4-methyl-benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC2=NC(=O)C(=CC3=CC=CN3)S2

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC2=NC(=O)/C(=C/C3=CC=CN3)/S2

InChI

InChI=1S/C16H13N3O3S/c1-9-4-5-11(15(21)22)12(7-9)18-16-19-14(20)13(23-16)8-10-3-2-6-17-10/h2-8,17H,1H3,(H,21,22)(H,18,19,20)/b13-8-