3-[2-(3-methylphenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-(3-methylphenyl)ethanoyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-[2-(m-tolyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(3-methylphenyl)-1-oxoethyl]-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(3-methylphenyl)acetyl]-prop-2-enylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl-[2-(m-tolyl)acetyl]amino]-5-phenyl-2-thenoic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S/c1-3-12-24(21(25)14-17-9-7-8-16(2)13-17)19-15-20(28-22(19)23(26)27)18-10-5-4-6-11-18/h3-11,13,15H,1,12,14H2,2H3,(H,26,27)