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

Systemtic Name: O-(2-hydroxyethyl) 2,6-dimethyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbothioate Openeye Name: O-(2-hydroxyethyl) 2,6-dimethyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbothioate CAS Name: 2,6-dimethyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester IUPAC Name: O-(2-hydroxyethyl) 2,6-dimethyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbothioate Traditional Name: 2,6-dimethyl-5-nitro-4-phenyl-1,4-dihydropyridine-3-carbothioic acid O-(2-hydroxyethyl) ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/c1-10-13(16(23)22-9-8-19)14(12-6-4-3-5-7-12)15(18(20)21)11(2)17-10/h3-7,14,17,19H,8-9H2,1-2H3