ethyl 5-cyano-6-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(indan-5-ylamino)-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(indan-5-ylamino)-2-keto-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)NC2=CC3=C(CCC3)C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC3=C(CCC3)C=C2)C

InChI

InChI=1S/C21H21N3O3S/c1-3-27-21(26)18-10-16(11-22)20(23-13(18)2)28-12-19(25)24-17-8-7-14-5-4-6-15(14)9-17/h7-10H,3-6,12H2,1-2H3,(H,24,25)