(3-propan-2-ylphenyl) 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylate

Systemtic Name: (3-propan-2-ylphenyl) 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpyridine-3-carboxylate Openeye Name: (3-isopropylphenyl) 2-(2-amino-2-oxo-ethyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-pyridinecarboxylic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 2-(2-amino-2-oxoethyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]nicotinic acid m-cumenyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC(=O)C2=C(N=CC=C2)SCC(=O)N

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC(=O)C2=C(N=CC=C2)SCC(=O)N

InChI

InChI=1S/C17H18N2O3S/c1-11(2)12-5-3-6-13(9-12)22-17(21)14-7-4-8-19-16(14)23-10-15(18)20/h3-9,11H,10H2,1-2H3,(H2,18,20)