dimethyl 2-(2-imidazol-1-ylethyl)-6-methyl-4-[2-methylsulfanyl-3-(phenylmethyl)imidazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-(2-imidazol-1-ylethyl)-6-methyl-4-[2-methylsulfanyl-3-(phenylmethyl)imidazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-benzyl-2-methylsulfanyl-imidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[2-(1-imidazolyl)ethyl]-6-methyl-4-[2-(methylthio)-3-(phenylmethyl)-4-imidazolyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-benzyl-2-methylsulfanylimidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-benzyl-2-(methylthio)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCN2C=CN=C2)C(=O)OC)C3=CN=C(N3CC4=CC=CC=C4)SC)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)CCN2C=CN=C2)C(=O)OC)C3=CN=C(N3CC4=CC=CC=C4)SC)C(=O)OC

InChI

InChI=1S/C26H29N5O4S/c1-17-21(24(32)34-2)23(20-14-28-26(36-4)31(20)15-18-8-6-5-7-9-18)22(25(33)35-3)19(29-17)10-12-30-13-11-27-16-30/h5-9,11,13-14,16,23,29H,10,12,15H2,1-4H3