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

Systemtic Name: 2-[3-[(5-ethoxycarbonyl-4-methyl-3-propan-2-yloxycarbonyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(5-ethoxycarbonyl-3-isopropoxycarbonyl-4-methyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[5-ethoxycarbonyl-4-methyl-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(5-ethoxycarbonyl-4-methyl-3-propan-2-yloxycarbonylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(5-carbethoxy-3-isopropoxycarbonyl-4-methyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C19H23N3O7S MolecularWeight: 437.46682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC(C)C)C

InChI

InChI=1S/C19H23N3O7S/c1-5-28-19(27)15-11(4)14(18(26)29-10(2)3)16(30-15)21-13(23)7-9-22-12(17(24)25)6-8-20-22/h6,8,10H,5,7,9H2,1-4H3,(H,21,23)(H,24,25)