3-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-methyl-benzoic acid

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thian-4-yl]amino]-2-methyl-benzoic acid Openeye Name: 3-[(1,1-dioxothian-4-yl)amino]-2-methyl-benzoic acid CAS Name: 3-[(1,1-dioxo-4-thianyl)amino]-2-methylbenzoic acid IUPAC Name: 3-[(1,1-dioxothian-4-yl)amino]-2-methylbenzoic acid Traditional Name: 3-[(1,1-diketothian-4-yl)amino]-2-methyl-benzoic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2CCS(=O)(=O)CC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC2CCS(=O)(=O)CC2)C(=O)O

InChI

InChI=1S/C13H17NO4S/c1-9-11(13(15)16)3-2-4-12(9)14-10-5-7-19(17,18)8-6-10/h2-4,10,14H,5-8H2,1H3,(H,15,16)