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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-4-prop-2-enoxy-butanoic acid Openeye Name: 4-allyloxy-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-butanoic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-4-prop-2-enoxybutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-4-prop-2-enoxybutanoic acid Traditional Name: 4-allyloxy-3-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-butyric acid Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C=CCOC(=O)C(CC(=O)O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H15NO4S2/c1-2-7-20-14(19)10(8-13(17)18)9-21-15-16-11-5-3-4-6-12(11)22-15/h2-6,10H,1,7-9H2,(H,17,18)