methyl (Z)-2-(4-chloranyl-5-fluoranyl-2-nitro-phenyl)sulfanyl-3-(dimethylamino)prop-2-enoate

Systemtic Name: methyl (Z)-2-(4-chloranyl-5-fluoranyl-2-nitro-phenyl)sulfanyl-3-(dimethylamino)prop-2-enoate Openeye Name: methyl (Z)-2-(4-chloro-5-fluoro-2-nitro-phenyl)sulfanyl-3-(dimethylamino)prop-2-enoate CAS Name: (Z)-2-[(4-chloro-5-fluoro-2-nitrophenyl)thio]-3-(dimethylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-(4-chloro-5-fluoro-2-nitrophenyl)sulfanyl-3-(dimethylamino)prop-2-enoate Traditional Name: (Z)-2-[(4-chloro-5-fluoro-2-nitro-phenyl)thio]-3-(dimethylamino)acrylic acid methyl ester Formula: C12H12ClFN2O4S MolecularWeight: 334.751083

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=C(C(=O)OC)SC1=CC(=C(C=C1[N+](=O)[O-])Cl)F

Isomeric SMILES

CN(C)/C=C(/C(=O)OC)\SC1=CC(=C(C=C1[N+](=O)[O-])Cl)F

InChI

InChI=1S/C12H12ClFN2O4S/c1-15(2)6-11(12(17)20-3)21-10-5-8(14)7(13)4-9(10)16(18)19/h4-6H,1-3H3/b11-6-