[1-[ethanoyl(thiophen-3-yl)amino]-2-oxidanylidene-azetidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-[ethanoyl(thiophen-3-yl)amino]-2-oxidanylidene-azetidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[acetyl(3-thienyl)amino]-2-oxo-azetidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[acetyl(3-thiophenyl)amino]-2-oxo-3-azetidinyl]methyl ester IUPAC Name: [1-[acetyl(thiophen-3-yl)amino]-2-oxoazetidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[acetyl(3-thienyl)amino]-2-keto-azetidin-3-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)OCC2CN(C2=O)N(C3=CSC=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C2=O)N(C3=CSC=C3)C(=O)C

InChI

InChI=1S/C17H18N2O5S2/c1-12-3-5-16(6-4-12)26(22,23)24-10-14-9-18(17(14)21)19(13(2)20)15-7-8-25-11-15/h3-8,11,14H,9-10H2,1-2H3