2-[3-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-ethoxycarbonyl-4-ethyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(3-ethoxycarbonyl-4-ethyl-5-methyl-2-thiophenyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbethoxy-4-ethyl-5-methyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CCN2C(=CC=N2)C(=O)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CCN2C(=CC=N2)C(=O)O)C

InChI

InChI=1S/C17H21N3O5S/c1-4-11-10(3)26-15(14(11)17(24)25-5-2)19-13(21)7-9-20-12(16(22)23)6-8-18-20/h6,8H,4-5,7,9H2,1-3H3,(H,19,21)(H,22,23)