S-[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)-3-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(2R)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl] ester IUPAC Name: S-[(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(2R)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)-3-keto-propyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)C1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC[C@@H](C(=O)C1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H22N2O4S/c1-11(21)25-10-15(20-17(23)24-18(2,3)4)16(22)13-9-19-14-8-6-5-7-12(13)14/h5-9,15,19H,10H2,1-4H3,(H,20,23)/t15-/m0/s1