prop-2-enyl (4S)-3-cyano-2-ethylsulfanyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: prop-2-enyl (4S)-3-cyano-2-ethylsulfanyl-4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Openeye Name: allyl (4S)-4-(4-benzyloxy-3-methoxy-phenyl)-3-cyano-2-ethylsulfanyl-6-methyl-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-2-(ethylthio)-4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4S)-3-cyano-2-ethylsulfanyl-4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-4-(4-benzoxy-3-methoxy-phenyl)-3-cyano-2-(ethylthio)-6-methyl-3,4-dihydropyridine-5-carboxylic acid allyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(C1C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC=C)C

Isomeric SMILES

CCSC1=NC(=C([C@@H](C1C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC=C)C

InChI

InChI=1S/C27H28N2O4S/c1-5-14-32-27(30)24-18(3)29-26(34-6-2)21(16-28)25(24)20-12-13-22(23(15-20)31-4)33-17-19-10-8-7-9-11-19/h5,7-13,15,21,25H,1,6,14,17H2,2-4H3/t21?,25-/m1/s1