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

Systemtic Name: 2-[3-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3,5-dicarbethoxy-4-methyl-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:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C18H21N3O7S/c1-4-27-17(25)13-10(3)14(18(26)28-5-2)29-15(13)20-12(22)7-9-21-11(16(23)24)6-8-19-21/h6,8H,4-5,7,9H2,1-3H3,(H,20,22)(H,23,24)