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

Systemtic Name: prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-2-methyl-4-(4-phenylmethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-benzyloxyphenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-2-methyl-4-(4-phenylmethoxyphenyl)-3,4-dihydropyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-(4-phenylmethoxyphenyl)-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(4-benzoxyphenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCC=C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)SCC(=O)N

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OCC=C)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N)SCC(=O)N

InChI

InChI=1S/C26H25N3O4S/c1-3-13-32-26(31)23-17(2)29-25(34-16-22(28)30)21(14-27)24(23)19-9-11-20(12-10-19)33-15-18-7-5-4-6-8-18/h3-12,23-24H,1,13,15-16H2,2H3,(H2,28,30)/t23?,24-/m0/s1