ethyl 4-[(3Z)-3-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,5-dimethyl-cyclohexen-1-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3Z)-3-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,5-dimethyl-cyclohexen-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3Z)-3-(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)-5,5-dimethyl-cyclohexen-1-yl]piperazine-1-carboxylate CAS Name: 4-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)-5,5-dimethyl-1-cyclohexenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-5,5-dimethylcyclohexen-1-yl]piperazine-1-carboxylate Traditional Name: 4-[(3Z)-3-(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)-5,5-dimethyl-cyclohexen-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C2CC(CC(=C2)N3CCN(CC3)C(=O)OCC)(C)C)SC1=S

Isomeric SMILES

CCN1C(=O)/C(=C/2\CC(CC(=C2)N3CCN(CC3)C(=O)OCC)(C)C)/SC1=S

InChI

InChI=1S/C20H29N3O3S2/c1-5-23-17(24)16(28-19(23)27)14-11-15(13-20(3,4)12-14)21-7-9-22(10-8-21)18(25)26-6-2/h11H,5-10,12-13H2,1-4H3/b16-14+