methyl 2-[3-(3-benzamido-4-tert-butyl-phenyl)sulfonylsulfanyl-2-oxidanylidene-azetidin-1-yl]-3-(chloromethyl)but-3-enoate

Systemtic Name: methyl 2-[3-(3-benzamido-4-tert-butyl-phenyl)sulfonylsulfanyl-2-oxidanylidene-azetidin-1-yl]-3-(chloromethyl)but-3-enoate Openeye Name: methyl 2-[3-(3-benzamido-4-tert-butyl-phenyl)sulfonylsulfanyl-2-oxo-azetidin-1-yl]-3-(chloromethyl)but-3-enoate CAS Name: 2-[3-[(3-benzamido-4-tert-butylphenyl)sulfonylthio]-2-oxo-1-azetidinyl]-3-(chloromethyl)-3-butenoic acid methyl ester IUPAC Name: methyl 2-[3-(3-benzamido-4-tert-butylphenyl)sulfonylsulfanyl-2-oxoazetidin-1-yl]-3-(chloromethyl)but-3-enoate Traditional Name: 2-[3-[(3-benzamido-4-tert-butyl-phenyl)sulfonylthio]-2-keto-azetidin-1-yl]-3-(chloromethyl)but-3-enoic acid methyl ester Formula: C26H29ClN2O6S2 MolecularWeight: 565.10126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)S(=O)(=O)SC2CN(C2=O)C(C(=C)CCl)C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)S(=O)(=O)SC2CN(C2=O)C(C(=C)CCl)C(=O)OC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H29ClN2O6S2/c1-16(14-27)22(25(32)35-5)29-15-21(24(29)31)36-37(33,34)18-11-12-19(26(2,3)4)20(13-18)28-23(30)17-9-7-6-8-10-17/h6-13,21-22H,1,14-15H2,2-5H3,(H,28,30)