prop-2-enyl (4S)-3-cyano-2-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: prop-2-enyl (4S)-3-cyano-2-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4S)-3-cyano-2-[2-(ethoxycarbonylamino)-2-oxo-ethyl]sulfanyl-6-methyl-4-(3-pyridyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-2-[[2-(ethoxycarbonylamino)-2-oxoethyl]thio]-6-methyl-4-(3-pyridinyl)-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-3-cyano-2-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-6-methyl-4-pyridin-3-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-2-[[2-(carbethoxyamino)-2-keto-ethyl]thio]-3-cyano-6-methyl-4-(3-pyridyl)-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)CSC1=NC(=C(C(C1C#N)C2=CN=CC=C2)C(=O)OCC=C)C

Isomeric SMILES

CCOC(=O)NC(=O)CSC1=NC(=C([C@@H](C1C#N)C2=CN=CC=C2)C(=O)OCC=C)C

InChI

InChI=1S/C21H22N4O5S/c1-4-9-30-20(27)17-13(3)24-19(31-12-16(26)25-21(28)29-5-2)15(10-22)18(17)14-7-6-8-23-11-14/h4,6-8,11,15,18H,1,5,9,12H2,2-3H3,(H,25,26,28)/t15?,18-/m1/s1