2-[3-[cyclopropyl-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[cyclopropyl-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(5-acetyl-4-methyl-thiazol-2-yl)-cyclopropyl-amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(5-acetyl-4-methyl-2-thiazolyl)-cyclopropylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)-cyclopropylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(5-acetyl-4-methyl-thiazol-2-yl)-cyclopropyl-amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(C2CC2)C(=O)CCN3C(=CC=N3)C(=O)O)C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)N(C2CC2)C(=O)CCN3C(=CC=N3)C(=O)O)C(=O)C

InChI

InChI=1S/C16H18N4O4S/c1-9-14(10(2)21)25-16(18-9)20(11-3-4-11)13(22)6-8-19-12(15(23)24)5-7-17-19/h5,7,11H,3-4,6,8H2,1-2H3,(H,23,24)