methyl 4-(1-imidazol-1-ylpropylsulfanyl)-2-(2-methoxyphenyl)benzoate

Systemtic Name: methyl 4-(1-imidazol-1-ylpropylsulfanyl)-2-(2-methoxyphenyl)benzoate Openeye Name: methyl 4-(1-imidazol-1-ylpropylsulfanyl)-2-(2-methoxyphenyl)benzoate CAS Name: 4-[1-(1-imidazolyl)propylthio]-2-(2-methoxyphenyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-imidazol-1-ylpropylsulfanyl)-2-(2-methoxyphenyl)benzoate Traditional Name: 4-(1-imidazol-1-ylpropylthio)-2-(2-methoxyphenyl)benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=CN=C1)SC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3OC

Isomeric SMILES

CCC(N1C=CN=C1)SC2=CC(=C(C=C2)C(=O)OC)C3=CC=CC=C3OC

InChI

InChI=1S/C21H22N2O3S/c1-4-20(23-12-11-22-14-23)27-15-9-10-17(21(24)26-3)18(13-15)16-7-5-6-8-19(16)25-2/h5-14,20H,4H2,1-3H3