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

Systemtic Name: (E)-4-[3-[(4-aminophenyl)methyl]thiophen-2-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-[(4-aminophenyl)methyl]-2-thienyl]-2-hydroxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-[(4-aminophenyl)methyl]-2-thiophenyl]-2-hydroxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-[(4-aminophenyl)methyl]thiophen-2-yl]-2-hydroxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-(4-aminobenzyl)-2-thienyl]-2-hydroxy-4-keto-but-2-enoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(SC=C2)C(=O)C=C(C(=O)O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC2=C(SC=C2)C(=O)/C=C(\C(=O)O)/O)N

InChI

InChI=1S/C15H13NO4S/c16-11-3-1-9(2-4-11)7-10-5-6-21-14(10)12(17)8-13(18)15(19)20/h1-6,8,18H,7,16H2,(H,19,20)/b13-8+