methyl 4-(2-imidazol-1-ylcarbothioyloxy-3,3-dimethyl-butoxy)benzoate

Systemtic Name: methyl 4-(2-imidazol-1-ylcarbothioyloxy-3,3-dimethyl-butoxy)benzoate Openeye Name: methyl 4-[2-(imidazole-1-carbothioyloxy)-3,3-dimethyl-butoxy]benzoate CAS Name: 4-[2-[1-imidazolyl(sulfanylidene)methoxy]-3,3-dimethylbutoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(imidazole-1-carbothioyloxy)-3,3-dimethylbutoxy]benzoate Traditional Name: 4-[2-(imidazole-1-carbothioyloxy)-3,3-dimethyl-butoxy]benzoic acid methyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(COC1=CC=C(C=C1)C(=O)OC)OC(=S)N2C=CN=C2

Isomeric SMILES

CC(C)(C)C(COC1=CC=C(C=C1)C(=O)OC)OC(=S)N2C=CN=C2

InChI

InChI=1S/C18H22N2O4S/c1-18(2,3)15(24-17(25)20-10-9-19-12-20)11-23-14-7-5-13(6-8-14)16(21)22-4/h5-10,12,15H,11H2,1-4H3