2-sulfanylethyl 4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-sulfanylethyl 4-[2,3-bis(chloranyl)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-sulfanylethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2,3-dichlorophenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 2-mercaptoethyl ester Formula: C16H16Cl2N2O4S MolecularWeight: 403.28024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCS

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C(=CC=C2)Cl)Cl)C(=O)OCCS

InChI

InChI=1S/C16H16Cl2N2O4S/c1-8-12(16(21)24-6-7-25)13(15(20(22)23)9(2)19-8)10-4-3-5-11(17)14(10)18/h3-5,13,19,25H,6-7H2,1-2H3