ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-[(2-formamidoethylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-[(2-formamidoethylthio)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)C)CSCCNC=O

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C#N)C)CSCCNC=O

InChI

InChI=1S/C20H23N3O3S/c1-3-26-20(25)19-17(12-27-10-9-22-13-24)23-14(2)16(11-21)18(19)15-7-5-4-6-8-15/h4-8,13,18,23H,3,9-10,12H2,1-2H3,(H,22,24)