O-propan-2-yl [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylmethanethioate CAS Name: [[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]thio]methanethioic acid O-isopropyl ester Formula: C16H22N2O4S3 MolecularWeight: 402.55188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)OC(=S)SCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H22N2O4S3/c1-12(2)22-16(23)24-11-15(19)17-13-6-5-7-14(10-13)25(20,21)18-8-3-4-9-18/h5-7,10,12H,3-4,8-9,11H2,1-2H3,(H,17,19)