[(3E)-4-[1-(4-methoxyphenyl)-4-oxidanylidene-3-prop-2-ynyl-azetidin-2-yl]-3-methyl-buta-1,3-dien-2-yl] methanesulfonate

Systemtic Name: [(3E)-4-[1-(4-methoxyphenyl)-4-oxidanylidene-3-prop-2-ynyl-azetidin-2-yl]-3-methyl-buta-1,3-dien-2-yl] methanesulfonate Openeye Name: [(E)-3-[1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynyl-azetidin-2-yl]-2-methyl-1-methylene-allyl] methanesulfonate CAS Name: methanesulfonic acid [(3E)-4-[1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynyl-2-azetidinyl]-3-methylbuta-1,3-dien-2-yl] ester IUPAC Name: [(3E)-4-[1-(4-methoxyphenyl)-4-oxo-3-prop-2-ynylazetidin-2-yl]-3-methylbuta-1,3-dien-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E)-3-[4-keto-1-(4-methoxyphenyl)-3-propargyl-azetidin-2-yl]-2-methyl-1-methylene-allyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C(=O)N1C2=CC=C(C=C2)OC)CC#C)C(=C)OS(=O)(=O)C

Isomeric SMILES

C/C(=C\C1C(C(=O)N1C2=CC=C(C=C2)OC)CC#C)/C(=C)OS(=O)(=O)C

InChI

InChI=1S/C19H21NO5S/c1-6-7-17-18(12-13(2)14(3)25-26(5,22)23)20(19(17)21)15-8-10-16(24-4)11-9-15/h1,8-12,17-18H,3,7H2,2,4-5H3/b13-12+