methyl 3-[1-(3,4-dimethoxyphenyl)propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate

Systemtic Name: methyl 3-[1-(3,4-dimethoxyphenyl)propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: methyl 3-[1-(3,4-dimethoxyphenyl)propyl]-2-thioxo-1H-imidazole-4-carboxylate CAS Name: 3-[1-(3,4-dimethoxyphenyl)propyl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[1-(3,4-dimethoxyphenyl)propyl]-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: 3-[1-(3,4-dimethoxyphenyl)propyl]-2-thioxo-4-imidazoline-4-carboxylic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)OC)OC)N2C(=CNC2=S)C(=O)OC

Isomeric SMILES

CCC(C1=CC(=C(C=C1)OC)OC)N2C(=CNC2=S)C(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-5-11(10-6-7-13(20-2)14(8-10)21-3)18-12(15(19)22-4)9-17-16(18)23/h6-9,11H,5H2,1-4H3,(H,17,23)