[3-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [3-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxidanylidene-azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [3-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxo-azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-4-oxo-2-azetidinyl]methyl ester IUPAC Name: [3-[(4-methoxyphenyl)methoxycarbonylamino]-4-oxoazetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-keto-3-(p-anisyloxycarbonylamino)azetidin-2-yl]methyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H22N2O7S/c1-13-3-9-16(10-4-13)30(25,26)29-12-17-18(19(23)21-17)22-20(24)28-11-14-5-7-15(27-2)8-6-14/h3-10,17-18H,11-12H2,1-2H3,(H,21,23)(H,22,24)