1-phenoxyethyl 2-[3-bromanyl-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: 1-phenoxyethyl 2-[3-bromanyl-2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: 1-phenoxyethyl 2-[3-bromo-2-[(E)-3-methoxy-3-oxo-prop-1-enyl]sulfanyl-4-oxo-azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[3-bromo-2-[[(E)-3-methoxy-3-oxoprop-1-enyl]thio]-4-oxo-1-azetidinyl]-3-methyl-2-butenoic acid 1-phenoxyethyl ester IUPAC Name: 1-phenoxyethyl 2-[3-bromo-2-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-4-oxoazetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[3-bromo-2-keto-4-[[(E)-3-keto-3-methoxy-prop-1-enyl]thio]azetidin-1-yl]-3-methyl-but-2-enoic acid 1-phenoxyethyl ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=CC=C1)OC(=O)C(=C(C)C)N2C(C(C2=O)Br)SC=CC(=O)OC

Isomeric SMILES

CC(OC1=CC=CC=C1)OC(=O)C(=C(C)C)N2C(C(C2=O)Br)S/C=C/C(=O)OC

InChI

InChI=1S/C20H22BrNO6S/c1-12(2)17(20(25)28-13(3)27-14-8-6-5-7-9-14)22-18(24)16(21)19(22)29-11-10-15(23)26-4/h5-11,13,16,19H,1-4H3/b11-10+