[(2S,3S,4S,6S)-2-methyl-6-phenylsulfanyl-4-(prop-2-enoxycarbonylamino)oxan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3S,4S,6S)-2-methyl-6-phenylsulfanyl-4-(prop-2-enoxycarbonylamino)oxan-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,4S,6S)-4-(allyloxycarbonylamino)-2-methyl-6-phenylsulfanyl-tetrahydropyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,4S,6S)-2-methyl-4-[[oxo(prop-2-enoxy)methyl]amino]-6-(phenylthio)-3-oxanyl] ester IUPAC Name: [(2S,3S,4S,6S)-2-methyl-6-phenylsulfanyl-4-(prop-2-enoxycarbonylamino)oxan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,4S,6S)-4-(allyloxycarbonylamino)-2-methyl-6-(phenylthio)tetrahydropyran-3-yl] ester Formula: C23H24N2O7S MolecularWeight: 472.51086

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)SC2=CC=CC=C2)NC(=O)OCC=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)SC2=CC=CC=C2)NC(=O)OCC=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O7S/c1-3-13-30-23(27)24-19-14-20(33-18-7-5-4-6-8-18)31-15(2)21(19)32-22(26)16-9-11-17(12-10-16)25(28)29/h3-12,15,19-21H,1,13-14H2,2H3,(H,24,27)/t15-,19-,20-,21+/m0/s1