methyl (E,4S)-6-methylsulfanyl-4-(phenylmethoxycarbonylamino)hex-2-enoate

Systemtic Name: methyl (E,4S)-6-methylsulfanyl-4-(phenylmethoxycarbonylamino)hex-2-enoate Openeye Name: methyl (E,4S)-4-(benzyloxycarbonylamino)-6-methylsulfanyl-hex-2-enoate CAS Name: (E,4S)-6-(methylthio)-4-(phenylmethoxycarbonylamino)-2-hexenoic acid methyl ester IUPAC Name: methyl (E,4S)-6-methylsulfanyl-4-(phenylmethoxycarbonylamino)hex-2-enoate Traditional Name: (E,4S)-4-(benzyloxycarbonylamino)-6-(methylthio)hex-2-enoic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(CCSC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C/[C@H](CCSC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO4S/c1-20-15(18)9-8-14(10-11-22-2)17-16(19)21-12-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3,(H,17,19)/b9-8+/t14-/m1/s1