ethyl 5-cyano-2-methyl-6-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2C(CC3=CC=CC=C32)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2[C@H](CC3=CC=CC=C32)C)C

InChI

InChI=1S/C21H21N3O3S/c1-4-27-21(26)17-10-16(11-22)20(23-14(17)3)28-12-19(25)24-13(2)9-15-7-5-6-8-18(15)24/h5-8,10,13H,4,9,12H2,1-3H3/t13-/m0/s1