methyl 1-imidazol-1-ylcarbothioyloxy-4,7-dimethoxy-2,5-dimethyl-6-prop-2-enyl-1,3-dihydroindene-2-carboxylate

Systemtic Name: methyl 1-imidazol-1-ylcarbothioyloxy-4,7-dimethoxy-2,5-dimethyl-6-prop-2-enyl-1,3-dihydroindene-2-carboxylate Openeye Name: methyl 6-allyl-1-(imidazole-1-carbothioyloxy)-4,7-dimethoxy-2,5-dimethyl-indane-2-carboxylate CAS Name: 1-[1-imidazolyl(sulfanylidene)methoxy]-4,7-dimethoxy-2,5-dimethyl-6-prop-2-enyl-1,3-dihydroindene-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(imidazole-1-carbothioyloxy)-4,7-dimethoxy-2,5-dimethyl-6-prop-2-enyl-1,3-dihydroindene-2-carboxylate Traditional Name: 6-allyl-1-(imidazole-1-carbothioyloxy)-4,7-dimethoxy-2,5-dimethyl-indane-2-carboxylic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(C(C2)(C)C(=O)OC)OC(=S)N3C=CN=C3)C(=C1CC=C)OC)OC

Isomeric SMILES

CC1=C(C2=C(C(C(C2)(C)C(=O)OC)OC(=S)N3C=CN=C3)C(=C1CC=C)OC)OC

InChI

InChI=1S/C22H26N2O5S/c1-7-8-14-13(2)17(26-4)15-11-22(3,20(25)28-6)19(16(15)18(14)27-5)29-21(30)24-10-9-23-12-24/h7,9-10,12,19H,1,8,11H2,2-6H3