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

Systemtic Name: 2-[3-[(5-aminocarbonyl-4-methyl-3-propoxycarbonyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(5-carbamoyl-4-methyl-3-propoxycarbonyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[5-carbamoyl-4-methyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(5-carbamoyl-4-methyl-3-propoxycarbonylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(5-carbamoyl-4-methyl-3-propoxycarbonyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H20N4O6S MolecularWeight: 408.4289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C17H20N4O6S/c1-3-8-27-17(26)12-9(2)13(14(18)23)28-15(12)20-11(22)5-7-21-10(16(24)25)4-6-19-21/h4,6H,3,5,7-8H2,1-2H3,(H2,18,23)(H,20,22)(H,24,25)