O-(2-hydroxyethyl) 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate

Systemtic Name: O-(2-hydroxyethyl) 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate Openeye Name: O-(2-hydroxyethyl) 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate CAS Name: 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester IUPAC Name: O-(2-hydroxyethyl) 4-[2-[(4-chlorophenyl)methoxy]phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioate Traditional Name: 4-[2-(4-chlorobenzyl)oxyphenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=S)OCCO

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=C(C=C3)Cl)C(=S)OCCO

InChI

InChI=1S/C23H23ClN2O5S/c1-14-20(23(32)30-12-11-27)21(22(26(28)29)15(2)25-14)18-5-3-4-6-19(18)31-13-16-7-9-17(24)10-8-16/h3-10,21,25,27H,11-13H2,1-2H3