(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (2-thioxo-1,3-benzothiazol-3-yl)methyl 2-acetamido-4-methylsulfanyl-butanoate CAS Name: 2-acetamido-4-(methylthio)butanoic acid (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl ester IUPAC Name: (2-sulfanylidene-1,3-benzothiazol-3-yl)methyl 2-acetamido-4-methylsulfanylbutanoate Traditional Name: 2-acetamido-4-(methylthio)butyric acid (2-thioxo-1,3-benzothiazol-3-yl)methyl ester Formula: C15H18N2O3S3 MolecularWeight: 370.51002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OCN1C2=CC=CC=C2SC1=S

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)OCN1C2=CC=CC=C2SC1=S

InChI

InChI=1S/C15H18N2O3S3/c1-10(18)16-11(7-8-22-2)14(19)20-9-17-12-5-3-4-6-13(12)23-15(17)21/h3-6,11H,7-9H2,1-2H3,(H,16,18)