methyl (E,2R,6S)-2-[(2-nitrophenyl)sulfanylamino]-6-phenylmethoxy-hept-4-enoate

Systemtic Name: methyl (E,2R,6S)-2-[(2-nitrophenyl)sulfanylamino]-6-phenylmethoxy-hept-4-enoate Openeye Name: methyl (E,2R,6S)-6-benzyloxy-2-[(2-nitrophenyl)sulfanylamino]hept-4-enoate CAS Name: (E,2R,6S)-2-[[(2-nitrophenyl)thio]amino]-6-phenylmethoxy-4-heptenoic acid methyl ester IUPAC Name: methyl (E,2R,6S)-2-[(2-nitrophenyl)sulfanylamino]-6-phenylmethoxyhept-4-enoate Traditional Name: (E,2R,6S)-6-benzoxy-2-[[(2-nitrophenyl)thio]amino]hept-4-enoic acid methyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CCC(C(=O)OC)NSC1=CC=CC=C1[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

C[C@@H](/C=C/C[C@H](C(=O)OC)NSC1=CC=CC=C1[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c1-16(28-15-17-10-4-3-5-11-17)9-8-12-18(21(24)27-2)22-29-20-14-7-6-13-19(20)23(25)26/h3-11,13-14,16,18,22H,12,15H2,1-2H3/b9-8+/t16-,18+/m0/s1