(E)-4-[2-[(4-aminophenyl)methyl]-1,3-thiazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[2-[(4-aminophenyl)methyl]-1,3-thiazol-4-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[2-[(4-aminophenyl)methyl]thiazol-4-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[2-[(4-aminophenyl)methyl]-4-thiazolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[2-[(4-aminophenyl)methyl]-1,3-thiazol-4-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[2-(4-aminobenzyl)thiazol-4-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NC(=CS2)C(=CC(=O)C(=O)O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC2=NC(=CS2)/C(=C\C(=O)C(=O)O)/O)N

InChI

InChI=1S/C14H12N2O4S/c15-9-3-1-8(2-4-9)5-13-16-10(7-21-13)11(17)6-12(18)14(19)20/h1-4,6-7,17H,5,15H2,(H,19,20)/b11-6+