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

Systemtic Name: dimethyl 4-[2-ethylsulfanyl-3-(phenylmethyl)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(3-benzyl-2-ethylsulfanyl-imidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[2-(ethylthio)-3-(phenylmethyl)-4-imidazolyl]-2-[2-(1-imidazolyl)ethyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-benzyl-2-ethylsulfanylimidazol-4-yl)-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-benzyl-2-(ethylthio)imidazol-4-yl]-2-(2-imidazol-1-ylethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(N1CC2=CC=CC=C2)C3C(=C(NC(=C3C(=O)OC)CCN4C=CN=C4)C)C(=O)OC

Isomeric SMILES

CCSC1=NC=C(N1CC2=CC=CC=C2)C3C(=C(NC(=C3C(=O)OC)CCN4C=CN=C4)C)C(=O)OC

InChI

InChI=1S/C27H31N5O4S/c1-5-37-27-29-15-21(32(27)16-19-9-7-6-8-10-19)24-22(25(33)35-3)18(2)30-20(23(24)26(34)36-4)11-13-31-14-12-28-17-31/h6-10,12,14-15,17,24,30H,5,11,13,16H2,1-4H3