methyl (2S)-4-[(Z)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl (2S)-4-[(Z)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-4-[(Z)-3-methoxy-3-oxo-prop-1-enyl]sulfanyl-butanoate CAS Name: (2S)-4-[[(Z)-3-methoxy-3-oxoprop-1-enyl]thio]-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl (2S)-4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-4-[[(Z)-3-keto-3-methoxy-prop-1-enyl]thio]butyric acid methyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)/C=C\SCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H21NO6S/c1-22-15(19)9-11-25-10-8-14(16(20)23-2)18-17(21)24-12-13-6-4-3-5-7-13/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,18,21)/b11-9-/t14-/m0/s1