methyl 6-ethyl-2-methyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 6-ethyl-2-methyl-5-nitro-4-[2-(phenylmethylsulfanyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(2-benzylsulfanylphenyl)-6-ethyl-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 6-ethyl-2-methyl-5-nitro-4-[2-(phenylmethylthio)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfanylphenyl)-6-ethyl-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-[2-(benzylthio)phenyl]-6-ethyl-2-methyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O4S/c1-4-18-22(25(27)28)21(20(15(2)24-18)23(26)29-3)17-12-8-9-13-19(17)30-14-16-10-6-5-7-11-16/h5-13,21,24H,4,14H2,1-3H3