O-ethyl [2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl-(cyclohexen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl-(cyclohexen-1-yl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[(6-bromo-1,3-benzodioxol-5-yl)methyl-(cyclohexen-1-yl)amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[(6-bromo-1,3-benzodioxol-5-yl)methyl-(1-cyclohexenyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[(6-bromo-1,3-benzodioxol-5-yl)methyl-(cyclohexen-1-yl)amino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[(6-bromo-1,3-benzodioxol-5-yl)methyl-(cyclohexen-1-yl)amino]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C19H22BrNO4S2 MolecularWeight: 472.41628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N(CC1=CC2=C(C=C1Br)OCO2)C3=CCCCC3

Isomeric SMILES

CCOC(=S)SCC(=O)N(CC1=CC2=C(C=C1Br)OCO2)C3=CCCCC3

InChI

InChI=1S/C19H22BrNO4S2/c1-2-23-19(26)27-11-18(22)21(14-6-4-3-5-7-14)10-13-8-16-17(9-15(13)20)25-12-24-16/h6,8-9H,2-5,7,10-12H2,1H3