2-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(cyclopropylmethylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(cyclopropylmethylamino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(cyclopropylmethylamino)-2-keto-ethyl]thio]nicotinate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CC1CNC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c15-10(14-6-8-3-4-8)7-18-11-9(12(16)17)2-1-5-13-11/h1-2,5,8H,3-4,6-7H2,(H,14,15)(H,16,17)/p-1