methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)sulfinyloxy-2-(prop-2-ynylamino)propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)sulfinyloxy-2-(prop-2-ynylamino)propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)sulfinyloxy-2-(prop-2-ynylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)sulfinyloxy-2-(prop-2-ynylamino)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)sulfinyloxy-2-(prop-2-ynylamino)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)sulfinyloxy-2-(propargylamino)propionic acid methyl ester Formula: C18H23N3O8S MolecularWeight: 441.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COS(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)NCC#C

Isomeric SMILES

CC(C)(C)OC(=O)NC(COS(=O)C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)NCC#C

InChI

InChI=1S/C18H23N3O8S/c1-6-11-19-18(15(22)27-5,20-16(23)29-17(2,3)4)12-28-30(26)14-9-7-13(8-10-14)21(24)25/h1,7-10,19H,11-12H2,2-5H3,(H,20,23)