methyl (2S)-4-methylsulfanyl-2-[2-oxidanylidene-4-[(E)-2-phenylethenyl]-3-(phenylmethoxycarbonylamino)azetidin-1-yl]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-oxidanylidene-4-[(E)-2-phenylethenyl]-3-(phenylmethoxycarbonylamino)azetidin-1-yl]butanoate Openeye Name: methyl (2S)-2-[3-(benzyloxycarbonylamino)-2-oxo-4-[(E)-styryl]azetidin-1-yl]-4-methylsulfanyl-butanoate CAS Name: (2S)-4-(methylthio)-2-[2-oxo-4-[(E)-2-phenylethenyl]-3-(phenylmethoxycarbonylamino)-1-azetidinyl]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[2-oxo-4-[(E)-2-phenylethenyl]-3-(phenylmethoxycarbonylamino)azetidin-1-yl]butanoate Traditional Name: (2S)-2-[3-(benzyloxycarbonylamino)-2-keto-4-[(E)-styryl]azetidin-1-yl]-4-(methylthio)butyric acid methyl ester Formula: C25H28N2O5S MolecularWeight: 468.56522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N1C(C(C1=O)NC(=O)OCC2=CC=CC=C2)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)N1C(C(C1=O)NC(=O)OCC2=CC=CC=C2)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5S/c1-31-24(29)21(15-16-33-2)27-20(14-13-18-9-5-3-6-10-18)22(23(27)28)26-25(30)32-17-19-11-7-4-8-12-19/h3-14,20-22H,15-17H2,1-2H3,(H,26,30)/b14-13+/t20?,21-,22?/m0/s1