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

Systemtic Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-1,3-thiazol-2-yl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]amino]-4-methyl-benzoic acid CAS Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thiazolyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid Traditional Name: 3-[[(5Z)-4-keto-5-piperonylidene-2-thiazolin-2-yl]amino]-4-methyl-benzoic acid Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=O)C(=CC3=CC4=C(C=C3)OCO4)S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/S2

InChI

InChI=1S/C19H14N2O5S/c1-10-2-4-12(18(23)24)8-13(10)20-19-21-17(22)16(27-19)7-11-3-5-14-15(6-11)26-9-25-14/h2-8H,9H2,1H3,(H,23,24)(H,20,21,22)/b16-7-