O-ethyl [1-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]-3-(propan-2-ylideneamino)oxy-propan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-[1-(4-methylphenyl)sulfonyl-4-oxidanylidene-piperidin-3-yl]-3-(propan-2-ylideneamino)oxy-propan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[(isopropylideneamino)oxymethyl]-2-[4-oxo-1-(p-tolylsulfonyl)-3-piperidyl]ethyl]sulfanylmethanethioate CAS Name: [[1-[1-(4-methylphenyl)sulfonyl-4-oxo-3-piperidinyl]-3-(propan-2-ylideneamino)oxypropan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-[1-(4-methylphenyl)sulfonyl-4-oxopiperidin-3-yl]-3-(propan-2-ylideneamino)oxypropan-2-yl]sulfanylmethanethioate Traditional Name: [[1-[(isopropylideneamino)oxymethyl]-2-(4-keto-1-tosyl-3-piperidyl)ethyl]thio]methanethioic acid O-ethyl ester Formula: C21H30N2O5S3 MolecularWeight: 486.6683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)C)CON=C(C)C

Isomeric SMILES

CCOC(=S)SC(CC1CN(CCC1=O)S(=O)(=O)C2=CC=C(C=C2)C)CON=C(C)C

InChI

InChI=1S/C21H30N2O5S3/c1-5-27-21(29)30-18(14-28-22-15(2)3)12-17-13-23(11-10-20(17)24)31(25,26)19-8-6-16(4)7-9-19/h6-9,17-18H,5,10-14H2,1-4H3