2-propoxyethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-propoxyethyl 6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-propoxyethyl 6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid 2-propoxyethyl ester IUPAC Name: 2-propoxyethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[(2-amino-2-keto-ethyl)thio]-5-cyano-2-methyl-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid 2-propoxyethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC(=O)N)C

Isomeric SMILES

CCCOCCOC(=O)C1=C(NC(=C(C1C2=CN=CC=C2)C#N)SCC(=O)N)C

InChI

InChI=1S/C20H24N4O4S/c1-3-7-27-8-9-28-20(26)17-13(2)24-19(29-12-16(22)25)15(10-21)18(17)14-5-4-6-23-11-14/h4-6,11,18,24H,3,7-9,12H2,1-2H3,(H2,22,25)