S-(phenylmethyl) N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-4-sulfanyl-azetidin-3-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-4-sulfanyl-azetidin-3-yl]carbamothioate Openeye Name: S-benzyl N-[2-oxo-1-(p-tolylsulfonyl)-4-sulfanyl-azetidin-3-yl]carbamothioate CAS Name: N-[2-mercapto-1-(4-methylphenyl)sulfonyl-4-oxo-3-azetidinyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[1-(4-methylphenyl)sulfonyl-2-oxo-4-sulfanylazetidin-3-yl]carbamothioate Traditional Name: N-(2-keto-4-mercapto-1-tosyl-azetidin-3-yl)thiocarbamic acid S-benzyl ester Formula: C18H18N2O4S3 MolecularWeight: 422.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)NC(=O)SCC3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C2=O)NC(=O)SCC3=CC=CC=C3)S

InChI

InChI=1S/C18H18N2O4S3/c1-12-7-9-14(10-8-12)27(23,24)20-16(21)15(17(20)25)19-18(22)26-11-13-5-3-2-4-6-13/h2-10,15,17,25H,11H2,1H3,(H,19,22)