methyl (Z)-4-(3-benzamido-4-oxidanylidene-azetidin-2-yl)oxy-3-phenylsulfanyl-but-2-enoate

Systemtic Name: methyl (Z)-4-(3-benzamido-4-oxidanylidene-azetidin-2-yl)oxy-3-phenylsulfanyl-but-2-enoate Openeye Name: methyl (Z)-4-(3-benzamido-4-oxo-azetidin-2-yl)oxy-3-phenylsulfanyl-but-2-enoate CAS Name: (Z)-4-[(3-benzamido-4-oxo-2-azetidinyl)oxy]-3-(phenylthio)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(3-benzamido-4-oxoazetidin-2-yl)oxy-3-phenylsulfanylbut-2-enoate Traditional Name: (Z)-4-(3-benzamido-4-keto-azetidin-2-yl)oxy-3-(phenylthio)but-2-enoic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(COC1C(C(=O)N1)NC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C(/COC1C(C(=O)N1)NC(=O)C2=CC=CC=C2)\SC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-27-17(24)12-16(29-15-10-6-3-7-11-15)13-28-21-18(20(26)23-21)22-19(25)14-8-4-2-5-9-14/h2-12,18,21H,13H2,1H3,(H,22,25)(H,23,26)/b16-12-