4-methyl-3-[[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: 4-methyl-3-[[(5E)-4-oxidanylidene-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoate Openeye Name: 4-methyl-3-[[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylene)thiazol-2-yl]amino]benzoate CAS Name: 4-methyl-3-[[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-thiazolyl]amino]benzoate IUPAC Name: 4-methyl-3-[[(5E)-4-oxo-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 3-[[(5E)-4-keto-5-(1H-pyrrol-2-ylmethylene)-2-thiazolin-2-yl]amino]-4-methyl-benzoate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC(=O)/C(=C\C3=CC=CN3)/S2

InChI

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