3-[5-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(5-ethyl-3-methoxycarbonyl-thiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[(5-ethyl-3-methoxycarbonyl-2-thienyl)carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[(5-ethyl-3-methoxycarbonyl-2-thiophenyl)amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(5-ethyl-3-methoxycarbonylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[(3-carbomethoxy-5-ethyl-2-thienyl)carbamoyl]pyrazol-1-yl]propionic acid Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=NN2CCC(=O)O)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=NN2CCC(=O)O)C(=O)OC

InChI

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