[2-[(Z)-C-ethyl-N-(methylsulfanylmethoxy)carbonimidoyl]-3-oxidanylidene-5-propan-2-yl-cyclohexen-1-yl] benzoate

Systemtic Name: [2-[(Z)-C-ethyl-N-(methylsulfanylmethoxy)carbonimidoyl]-3-oxidanylidene-5-propan-2-yl-cyclohexen-1-yl] benzoate Openeye Name: [2-[(Z)-C-ethyl-N-(methylsulfanylmethoxy)carbonimidoyl]-5-isopropyl-3-oxo-cyclohexen-1-yl] benzoate CAS Name: benzoic acid [2-[(1Z)-1-[(methylthio)methoxyimino]propyl]-3-oxo-5-propan-2-yl-1-cyclohexenyl] ester IUPAC Name: [2-[(Z)-C-ethyl-N-(methylsulfanylmethoxy)carbonimidoyl]-3-oxo-5-propan-2-ylcyclohexen-1-yl] benzoate Traditional Name: benzoic acid [2-[(Z)-C-ethyl-N-[(methylthio)methoxy]carbonimidoyl]-5-isopropyl-3-keto-cyclohexen-1-yl] ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NOCSC)C1=C(CC(CC1=O)C(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC/C(=N/OCSC)/C1=C(CC(CC1=O)C(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-5-17(22-25-13-27-4)20-18(23)11-16(14(2)3)12-19(20)26-21(24)15-9-7-6-8-10-15/h6-10,14,16H,5,11-13H2,1-4H3/b22-17-