[4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidin-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-azetidinyl]methyl ester IUPAC Name: [4-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-keto-3-[[2-(2-thienyl)acetyl]amino]azetidin-2-yl]methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(=O)N2)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C17H18N2O5S2/c1-11-4-6-13(7-5-11)26(22,23)24-10-14-16(17(21)18-14)19-15(20)9-12-3-2-8-25-12/h2-8,14,16H,9-10H2,1H3,(H,18,21)(H,19,20)