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

Systemtic Name: 3-[(4-methylphenyl)carbonyl-prop-2-enyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[allyl-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]-prop-2-enylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)-prop-2-enylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[allyl(p-toluoyl)amino]-5-phenyl-2-thenoic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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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=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO3S/c1-3-13-23(21(24)17-11-9-15(2)10-12-17)18-14-19(27-20(18)22(25)26)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H,25,26)