prop-2-enyl 4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoate

Systemtic Name: prop-2-enyl 4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoate Openeye Name: allyl 4-[2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]sulfanyl-3-nitro-benzoate CAS Name: 4-[[3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]-3-nitrobenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanyl-3-nitrobenzoate Traditional Name: 4-[[2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]thio]-3-nitro-benzoic acid allyl ester Formula: C19H24N2O8S MolecularWeight: 440.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)C(=O)OCC=C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=C(C=C(C=C1)C(=O)OCC=C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H24N2O8S/c1-6-9-28-16(22)12-7-8-15(14(10-12)21(25)26)30-11-13(17(23)27-5)20-18(24)29-19(2,3)4/h6-8,10,13H,1,9,11H2,2-5H3,(H,20,24)