[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)NC3CC3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C17H18N4O5S/c1-10-7-12(21-26-10)9-27-15-13(3-2-6-18-15)16(23)25-8-14(22)20-17(24)19-11-4-5-11/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,19,20,22,24)