5-(carboxymethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid

Systemtic Name: 5-(carboxymethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid Openeye Name: 5-(carboxymethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid CAS Name: 5-(carboxymethyl)-4-methyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-(carboxymethyl)-4-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid Traditional Name: 5-(carboxymethyl)-4-methyl-2-[[(E)-3-phenylacryloyl]amino]-3-thenoic acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C=CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)/C=C/C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C17H15NO5S/c1-10-12(9-14(20)21)24-16(15(10)17(22)23)18-13(19)8-7-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,18,19)(H,20,21)(H,22,23)/b8-7+