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

Systemtic Name: prop-2-enyl (4S)-6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Openeye Name: allyl (4S)-6-(2-amino-2-oxo-ethyl)sulfanyl-4-(4-benzyloxy-3-methoxy-phenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylate CAS Name: (4S)-6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-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-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-3,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-6-[(2-amino-2-keto-ethyl)thio]-4-(4-benzoxy-3-methoxy-phenyl)-5-cyano-2-methyl-3,4-dihydropyridine-3-carboxylic acid allyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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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)OC)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)OC)C#N)SCC(=O)N

InChI

InChI=1S/C27H27N3O5S/c1-4-12-34-27(32)24-17(2)30-26(36-16-23(29)31)20(14-28)25(24)19-10-11-21(22(13-19)33-3)35-15-18-8-6-5-7-9-18/h4-11,13,24-25H,1,12,15-16H2,2-3H3,(H2,29,31)/t24?,25-/m0/s1