5-azanyl-2-carbamothioyl-3-methoxycarbonyloxy-benzoic acid

Systemtic Name: 5-azanyl-2-carbamothioyl-3-methoxycarbonyloxy-benzoic acid Openeye Name: 5-amino-2-carbamothioyl-3-methoxycarbonyloxy-benzoic acid CAS Name: 5-amino-2-carbamothioyl-3-methoxycarbonyloxybenzoic acid IUPAC Name: 5-amino-2-carbamothioyl-3-methoxycarbonyloxybenzoic acid Traditional Name: 5-amino-3-carbomethoxyoxy-2-thiocarbamoyl-benzoic acid Formula: C10H10N2O5S MolecularWeight: 270.2618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(C(=CC(=C1)N)C(=O)O)C(=S)N

Isomeric SMILES

COC(=O)OC1=C(C(=CC(=C1)N)C(=O)O)C(=S)N

InChI

InChI=1S/C10H10N2O5S/c1-16-10(15)17-6-3-4(11)2-5(9(13)14)7(6)8(12)18/h2-3H,11H2,1H3,(H2,12,18)(H,13,14)