3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxidanylidene-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(ethylcarbamoyloxy)-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylcarbamoyloxy)-4-oxobutanoic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-(ethylcarbamoyloxy)-4-keto-butyric acid Formula: C15H16N2O5S2 MolecularWeight: 368.42794

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)OC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=O)OC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H16N2O5S2/c1-2-16-14(21)22-13(20)9(7-12(18)19)8-23-15-17-10-5-3-4-6-11(10)24-15/h3-6,9H,2,7-8H2,1H3,(H,16,21)(H,18,19)