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

Systemtic Name: 2-[3-[(3-methoxycarbonyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-methoxycarbonyl-5-methyl-2-thienyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(3-methoxycarbonyl-5-methyl-2-thiophenyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(3-methoxycarbonyl-5-methylthiophen-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(3-carbomethoxy-5-methyl-2-thienyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CCN2C(=CC=N2)C(=O)O)C(=O)OC

InChI

InChI=1S/C14H15N3O5S/c1-8-7-9(14(21)22-2)12(23-8)16-11(18)4-6-17-10(13(19)20)3-5-15-17/h3,5,7H,4,6H2,1-2H3,(H,16,18)(H,19,20)