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

Systemtic Name: dimethyl 2-(carbamimidoylsulfanylmethyl)-4-(3-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CSC(=N)N)C(=O)OC)C2=CC(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)CSC(=N)N)C(=O)OC)C2=CC(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C18H20ClN3O4S/c1-9-13(16(23)25-2)14(10-5-4-6-11(19)7-10)15(17(24)26-3)12(22-9)8-27-18(20)21/h4-7,14,22H,8H2,1-3H3,(H3,20,21)