5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[(E)-3-(3-chlorophenyl)acryloyl]amino]-3-methyl-2-thenoic acid Formula: C15H12ClNO3S MolecularWeight: 321.77868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C=CC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)/C=C/C2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C15H12ClNO3S/c1-9-7-13(21-14(9)15(19)20)17-12(18)6-5-10-3-2-4-11(16)8-10/h2-8H,1H3,(H,17,18)(H,19,20)/b6-5+