O-ethyl [6-chloranyl-1-[(4-methoxyphenyl)-methylsulfonyl-amino]-5-oxidanylidene-hexan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [6-chloranyl-1-[(4-methoxyphenyl)-methylsulfonyl-amino]-5-oxidanylidene-hexan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [5-chloro-1-[(4-methoxy-N-methylsulfonyl-anilino)methyl]-4-oxo-pentyl]sulfanylmethanethioate CAS Name: [[6-chloro-1-(4-methoxy-N-methylsulfonylanilino)-5-oxohexan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [6-chloro-1-(4-methoxy-N-methylsulfonylanilino)-5-oxohexan-2-yl]sulfanylmethanethioate Traditional Name: [[5-chloro-4-keto-1-[(N-mesyl-4-methoxy-anilino)methyl]pentyl]thio]methanethioic acid O-ethyl ester Formula: C17H24ClNO5S3 MolecularWeight: 454.02416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)CCl)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)CCl)CN(C1=CC=C(C=C1)OC)S(=O)(=O)C

InChI

InChI=1S/C17H24ClNO5S3/c1-4-24-17(25)26-16(10-7-14(20)11-18)12-19(27(3,21)22)13-5-8-15(23-2)9-6-13/h5-6,8-9,16H,4,7,10-12H2,1-3H3