4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoic acid

Systemtic Name: 4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]sulfanyl-3-nitro-benzoic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl]sulfanyl-3-nitro-benzoic acid CAS Name: 4-[[3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]thio]-3-nitrobenzoic acid IUPAC Name: 4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]sulfanyl-3-nitrobenzoic acid Traditional Name: 4-[[2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-propyl]thio]-3-nitro-benzoic acid Formula: C16H20N2O8S MolecularWeight: 400.4036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O8S/c1-16(2,3)26-15(22)17-10(14(21)25-4)8-27-12-6-5-9(13(19)20)7-11(12)18(23)24/h5-7,10H,8H2,1-4H3,(H,17,22)(H,19,20)