O5-ethyl O3-methyl 4-(3-cyanophenyl)-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 4-(3-cyanophenyl)-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 4-(3-cyanophenyl)-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-cyanophenyl)-2-[(2-formamidoethylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 4-(3-cyanophenyl)-2-(2-formamidoethylsulfanylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-cyanophenyl)-2-[(2-formamidoethylthio)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-4-30-22(28)18-14(2)25-17(12-31-9-8-24-13-26)20(21(27)29-3)19(18)16-7-5-6-15(10-16)11-23/h5-7,10,13,19,25H,4,8-9,12H2,1-3H3,(H,24,26)