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

Systemtic Name: 2-[3-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbethoxy-5-ethyl-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=CC(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OCC

Isomeric SMILES

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

InChI

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