ethyl (E,5R)-5-oxidanyl-2-[2-(phenylmethoxycarbonylamino)prop-2-enoylsulfanyl]hex-2-enoate

Systemtic Name: ethyl (E,5R)-5-oxidanyl-2-[2-(phenylmethoxycarbonylamino)prop-2-enoylsulfanyl]hex-2-enoate Openeye Name: ethyl (E,5R)-2-[2-(benzyloxycarbonylamino)prop-2-enoylsulfanyl]-5-hydroxy-hex-2-enoate CAS Name: (E,5R)-5-hydroxy-2-[[1-oxo-2-(phenylmethoxycarbonylamino)prop-2-enyl]thio]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,5R)-5-hydroxy-2-[2-(phenylmethoxycarbonylamino)prop-2-enoylsulfanyl]hex-2-enoate Traditional Name: (E,5R)-2-[[2-(benzyloxycarbonylamino)acryloyl]thio]-5-hydroxy-hex-2-enoic acid ethyl ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CCC(C)O)SC(=O)C(=C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C(=C\C[C@@H](C)O)/SC(=O)C(=C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H23NO6S/c1-4-25-17(22)16(11-10-13(2)21)27-18(23)14(3)20-19(24)26-12-15-8-6-5-7-9-15/h5-9,11,13,21H,3-4,10,12H2,1-2H3,(H,20,24)/b16-11+/t13-/m1/s1