O-ethyl [5-cyclopropyl-1-[methylsulfonyl(pyridin-2-yl)amino]-5-oxidanylidene-pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [5-cyclopropyl-1-[methylsulfonyl(pyridin-2-yl)amino]-5-oxidanylidene-pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [4-cyclopropyl-1-[[methylsulfonyl(2-pyridyl)amino]methyl]-4-oxo-butyl]sulfanylmethanethioate CAS Name: [[5-cyclopropyl-1-[methylsulfonyl(2-pyridinyl)amino]-5-oxopentan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [5-cyclopropyl-1-[methylsulfonyl(pyridin-2-yl)amino]-5-oxopentan-2-yl]sulfanylmethanethioate Traditional Name: [[4-cyclopropyl-4-keto-1-[[mesyl(2-pyridyl)amino]methyl]butyl]thio]methanethioic acid O-ethyl ester Formula: C17H24N2O4S3 MolecularWeight: 416.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C1CC1)CN(C2=CC=CC=N2)S(=O)(=O)C

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C1CC1)CN(C2=CC=CC=N2)S(=O)(=O)C

InChI

InChI=1S/C17H24N2O4S3/c1-3-23-17(24)25-14(9-10-15(20)13-7-8-13)12-19(26(2,21)22)16-6-4-5-11-18-16/h4-6,11,13-14H,3,7-10,12H2,1-2H3