diethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(amidinothio)methyl]-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSC(=N)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)Cl)C(=O)OCC)CSC(=N)N)C

InChI

InChI=1S/C20H24ClN3O4S/c1-4-27-18(25)15-11(3)24-14(10-29-20(22)23)17(19(26)28-5-2)16(15)12-7-6-8-13(21)9-12/h6-9,16,24H,4-5,10H2,1-3H3,(H3,22,23)