2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]nicotinate Formula: C18H19N2O3S- MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C18H20N2O3S/c1-11(2)13-7-4-6-12(3)16(13)20-15(21)10-24-17-14(18(22)23)8-5-9-19-17/h4-9,11H,10H2,1-3H3,(H,20,21)(H,22,23)/p-1