dimethyl 3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Openeye Name: dimethyl 3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-thioxo-1H-imidazole-4,5-dicarboxylate CAS Name: 3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-sulfanylidene-1H-imidazole-4,5-dicarboxylate Traditional Name: 1-[(1S)-1-(3,4-dichlorophenyl)propyl]-2-thioxo-4-imidazoline-4,5-dicarboxylic acid dimethyl ester Formula: C16H16Cl2N2O4S MolecularWeight: 403.28024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C(=O)OC)C(=O)OC

Isomeric SMILES

CC[C@@H](C1=CC(=C(C=C1)Cl)Cl)N2C(=C(NC2=S)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H16Cl2N2O4S/c1-4-11(8-5-6-9(17)10(18)7-8)20-13(15(22)24-3)12(14(21)23-2)19-16(20)25/h5-7,11H,4H2,1-3H3,(H,19,25)/t11-/m0/s1