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

Systemtic Name: 2-[3-[(5-methoxycarbonyl-4-methyl-3-propoxycarbonyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(5-methoxycarbonyl-4-methyl-3-propoxycarbonyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[5-methoxycarbonyl-4-methyl-3-[oxo(propoxy)methyl]-2-thiophenyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(5-methoxycarbonyl-4-methyl-3-propoxycarbonylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(5-carbomethoxy-4-methyl-3-propoxycarbonyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O7S/c1-4-9-28-17(25)13-10(2)14(18(26)27-3)29-15(13)20-12(22)6-8-21-11(16(23)24)5-7-19-21/h5,7H,4,6,8-9H2,1-3H3,(H,20,22)(H,23,24)