S-[1-[4-[2-methylpropyl-[[(4-nitrophenyl)methoxycarbonylamino]methyl]carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate

Systemtic Name: S-[1-[4-[2-methylpropyl-[[(4-nitrophenyl)methoxycarbonylamino]methyl]carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Openeye Name: S-[1-[4-[isobutyl-[[(4-nitrophenyl)methoxycarbonylamino]methyl]carbamoyl]thiazol-2-yl]azetidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[4-[[2-methylpropyl-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]amino]-oxomethyl]-2-thiazolyl]-3-azetidinyl] ester IUPAC Name: S-[1-[4-[2-methylpropyl-[[(4-nitrophenyl)methoxycarbonylamino]methyl]carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-[isobutyl-[[(4-nitrobenzyl)oxycarbonylamino]methyl]carbamoyl]thiazol-2-yl]azetidin-3-yl] ester Formula: C22H27N5O6S2 MolecularWeight: 521.60968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)N3CC(C3)SC(=O)C

Isomeric SMILES

CC(C)CN(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CSC(=N2)N3CC(C3)SC(=O)C

InChI

InChI=1S/C22H27N5O6S2/c1-14(2)8-26(13-23-22(30)33-11-16-4-6-17(7-5-16)27(31)32)20(29)19-12-34-21(24-19)25-9-18(10-25)35-15(3)28/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,23,30)