O-ethyl [5-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [5-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [4-(4-bromophenyl)-1-[(tert-butoxycarbonylamino)methyl]-4-oxo-butyl]sulfanylmethanethioate CAS Name: [[5-(4-bromophenyl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [5-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentan-2-yl]sulfanylmethanethioate Traditional Name: [[4-(4-bromophenyl)-1-[(tert-butoxycarbonylamino)methyl]-4-keto-butyl]thio]methanethioic acid O-ethyl ester Formula: C19H26BrNO4S2 MolecularWeight: 476.44804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26BrNO4S2/c1-5-24-18(26)27-15(12-21-17(23)25-19(2,3)4)10-11-16(22)13-6-8-14(20)9-7-13/h6-9,15H,5,10-12H2,1-4H3,(H,21,23)