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2-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylate

2-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylate

Systemtic Name:2-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylate
Openeye Name:2-methylsulfonylethyl 2-thioxo-3H-1,3-benzothiazole-5-carboxylate
CAS Name:2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylic acid 2-methylsulfonylethyl ester
IUPAC Name:2-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-5-carboxylate
Traditional Name:2-thioxo-3H-1,3-benzothiazole-5-carboxylic acid 2-mesylethyl ester
Formula: C11H11NO4S3
MolecularWeight: 317.40434
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C1)SC(=S)N2


Isomeric SMILES

CS(=O)(=O)CCOC(=O)C1=CC2=C(C=C1)SC(=S)N2


InChI

InChI=1S/C11H11NO4S3/c1-19(14,15)5-4-16-10(13)7-2-3-9-8(6-7)12-11(17)18-9/h2-3,6H,4-5H2,1H3,(H,12,17)


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