prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate

Systemtic Name: prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-5-cyano-4-(2-methoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=CC=C2OC)C#N)SCC(=O)N

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=CC=C2OC)C#N)SCC(=O)N

InChI

InChI=1S/C20H21N3O4S/c1-4-9-27-20(25)17-12(2)23-19(28-11-16(22)24)14(10-21)18(17)13-7-5-6-8-15(13)26-3/h4-8,17-18H,1,9,11H2,2-3H3,(H2,22,24)/t17?,18-/m0/s1