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

Systemtic Name: 2-[3-[(4-ethyl-3-methoxycarbonyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(4-ethyl-3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(4-ethyl-3-methoxycarbonyl-5-methylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbomethoxy-4-ethyl-5-methyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-4-10-9(2)25-14(13(10)16(23)24-3)18-12(20)6-8-19-11(15(21)22)5-7-17-19/h5,7H,4,6,8H2,1-3H3,(H,18,20)(H,21,22)