2-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[methyl(propan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-[isopropyl(methyl)amino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-[isopropyl(methyl)amino]-2-keto-ethyl]thio]nicotinate Formula: C12H15N2O3S- MolecularWeight: 267.3241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)C(=O)CSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CC(C)N(C)C(=O)CSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-8(2)14(3)10(15)7-18-11-9(12(16)17)5-4-6-13-11/h4-6,8H,7H2,1-3H3,(H,16,17)/p-1