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

Systemtic Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2-(2-formamidoethylsulfanylmethyl)-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(2-formamidoethylthio)methyl]-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2-(2-formamidoethylsulfanylmethyl)-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(2-formamidoethylthio)methyl]-4-(3-methoxyphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-5-30-22(27)18-14(2)24-17(12-31-10-9-23-13-25)20(21(26)29-4)19(18)15-7-6-8-16(11-15)28-3/h6-8,11,13,19,24H,5,9-10,12H2,1-4H3,(H,23,25)