3-[(4-methylphenyl)carbonyl-prop-2-enyl-amino]-5-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylphenyl)carbonyl-prop-2-enyl-amino]-5-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[allyl-(4-methylbenzoyl)amino]-5-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]thiophene-2-carboxylic acid CAS Name: 5-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-3-[[(4-methylphenyl)-oxomethyl]-prop-2-enylamino]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-3-[(4-methylbenzoyl)-prop-2-enylamino]thiophene-2-carboxylic acid Traditional Name: 3-[allyl(p-toluoyl)amino]-5-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]-2-thenoic acid Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC=C)C2=C(SC(=C2)C3=CC=C(C=C3)C=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC=C)C2=C(SC(=C2)C3=CC=C(C=C3)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C25H21NO5S/c1-3-14-26(24(29)19-9-4-16(2)5-10-19)20-15-21(32-23(20)25(30)31)18-11-6-17(7-12-18)8-13-22(27)28/h3-13,15H,1,14H2,2H3,(H,27,28)(H,30,31)/b13-8+