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

Systemtic Name: 4-[2-[1,1-bis(oxidanylidene)thiolan-3-yl]ethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[2-(1,1-dioxo-3-thiolanyl)-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(1,1-diketothiolan-3-yl)acetyl]amino]-3-methyl-benzoic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2CCS(=O)(=O)C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CC2CCS(=O)(=O)C2

InChI

InChI=1S/C14H17NO5S/c1-9-6-11(14(17)18)2-3-12(9)15-13(16)7-10-4-5-21(19,20)8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,16)(H,17,18)