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

Systemtic Name: ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-2-[(2-formamidoethylthio)methyl]-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-(2-formamidoethylsulfanylmethyl)-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-2-[(2-formamidoethylthio)methyl]-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-4-28-21(26)20-18(12-29-9-8-23-13-25)24-14(2)17(11-22)19(20)15-6-5-7-16(10-15)27-3/h5-7,10,13,19,24H,4,8-9,12H2,1-3H3,(H,23,25)