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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-(prop-2-enylcarbamoyloxy)butanoic acid Openeye Name: 4-(allylcarbamoyloxy)-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-[oxo-(prop-2-enylamino)methoxy]butanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-(prop-2-enylcarbamoyloxy)butanoic acid Traditional Name: 4-(allylcarbamoyloxy)-3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-butyric acid Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S2/c1-2-7-17-15(22)23-14(21)10(8-13(19)20)9-24-16-18-11-5-3-4-6-12(11)25-16/h2-6,10H,1,7-9H2,(H,17,22)(H,19,20)