4-(4-methylphenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid Openeye Name: 4-(p-tolyl)-2-[[(E)-3-(p-tolyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid Traditional Name: 4-(p-tolyl)-2-[[(E)-3-(p-tolyl)acryloyl]amino]-3-thenoic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C22H19NO3S/c1-14-3-7-16(8-4-14)9-12-19(24)23-21-20(22(25)26)18(13-27-21)17-10-5-15(2)6-11-17/h3-13H,1-2H3,(H,23,24)(H,25,26)/b12-9+