O-ethyl [1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxidanylidene-5-phenyl-pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxidanylidene-5-phenyl-pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[[tert-butoxycarbonyl(methyl)amino]methyl]-4-oxo-4-phenyl-butyl]sulfanylmethanethioate CAS Name: [[1-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-5-phenylpentan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-5-phenylpentan-2-yl]sulfanylmethanethioate Traditional Name: [[1-[[tert-butoxycarbonyl(methyl)amino]methyl]-4-keto-4-phenyl-butyl]thio]methanethioic acid O-ethyl ester Formula: C20H29NO4S2 MolecularWeight: 411.57856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO4S2/c1-6-24-19(26)27-16(14-21(5)18(23)25-20(2,3)4)12-13-17(22)15-10-8-7-9-11-15/h7-11,16H,6,12-14H2,1-5H3