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

Systemtic Name: 2-[3-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(5-ethyl-3-methoxycarbonyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbomethoxy-5-ethyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC

InChI

InChI=1S/C15H17N3O5S/c1-3-9-8-10(15(22)23-2)13(24-9)17-12(19)5-7-18-11(14(20)21)4-6-16-18/h4,6,8H,3,5,7H2,1-2H3,(H,17,19)(H,20,21)