O-methyl [2-[cyclohex-2-en-1-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-methyl [2-[cyclohex-2-en-1-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-methyl [2-[cyclohex-2-en-1-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[1-cyclohex-2-enylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]thio]methanethioic acid O-methyl ester IUPAC Name: O-methyl [2-[cyclohex-2-en-1-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[cyclohex-2-en-1-ylmethyl(homoveratryl)amino]-2-keto-ethyl]thio]methanethioic acid O-methyl ester Formula: C21H29NO4S2 MolecularWeight: 423.58926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2CCCC=C2)C(=O)CSC(=S)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2CCCC=C2)C(=O)CSC(=S)OC)OC

InChI

InChI=1S/C21H29NO4S2/c1-24-18-10-9-16(13-19(18)25-2)11-12-22(14-17-7-5-4-6-8-17)20(23)15-28-21(27)26-3/h5,7,9-10,13,17H,4,6,8,11-12,14-15H2,1-3H3