5-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 5-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 5-[[(E)-3-(2,4-dimethylphenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[(E)-3-(2,4-dimethylphenyl)acryloyl]amino]-2-thenoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2=CC=C(S2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2=CC=C(S2)C(=O)O)C

InChI

InChI=1S/C16H15NO3S/c1-10-3-4-12(11(2)9-10)5-7-14(18)17-15-8-6-13(21-15)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/b7-5+