dimethyl 5-[[2-(2,3-dihydro-1H-inden-2-ylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]carbothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(2,3-dihydro-1H-inden-2-ylamino)-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]carbothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(indan-2-ylamino)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(2,3-dihydro-1H-inden-2-ylamino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2,3-dihydro-1H-inden-2-ylamino)-4,4-dimethyl-6-oxocyclohexene-1-carbothioyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(indan-2-ylamino)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)NC3CC4=CC=CC=C4C3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)NC3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C28H30N2O5S/c1-28(2)14-22(29-20-10-16-7-5-6-8-17(16)11-20)24(23(31)15-28)25(36)30-21-12-18(26(32)34-3)9-19(13-21)27(33)35-4/h5-9,12-13,20,29H,10-11,14-15H2,1-4H3,(H,30,36)