tert-butyl carbamate; 2-(2-methylphenyl)sulfinylethanoic acid

Systemtic Name: tert-butyl carbamate; 2-(2-methylphenyl)sulfinylethanoic acid Openeye Name: tert-butyl carbamate; 2-(o-tolylsulfinyl)acetic acid CAS Name: carbamic acid tert-butyl ester; 2-(2-methylphenyl)sulfinylacetic acid IUPAC Name: tert-butyl carbamate; 2-(2-methylphenyl)sulfinylacetic acid Traditional Name: carbamic acid tert-butyl ester; 2-(o-tolylsulfinyl)acetic acid Formula: C14H21NO5S MolecularWeight: 315.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)CC(=O)O.CC(C)(C)OC(=O)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)CC(=O)O.CC(C)(C)OC(=O)N

InChI

InChI=1S/C9H10O3S.C5H11NO2/c1-7-4-2-3-5-8(7)13(12)6-9(10)11;1-5(2,3)8-4(6)7/h2-5H,6H2,1H3,(H,10,11);1-3H3,(H2,6,7)