1-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylate

Systemtic Name: 1-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylate Openeye Name: 1-methylsulfonylethyl 2-thioxo-3H-1,3-benzothiazole-4-carboxylate CAS Name: 2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylic acid 1-methylsulfonylethyl ester IUPAC Name: 1-methylsulfonylethyl 2-sulfanylidene-3H-1,3-benzothiazole-4-carboxylate Traditional Name: 2-thioxo-3H-1,3-benzothiazole-4-carboxylic acid 1-mesylethyl ester Formula: C11H11NO4S3 MolecularWeight: 317.40434

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C2C(=CC=C1)SC(=S)N2)S(=O)(=O)C

Isomeric SMILES

CC(OC(=O)C1=C2C(=CC=C1)SC(=S)N2)S(=O)(=O)C

InChI

InChI=1S/C11H11NO4S3/c1-6(19(2,14)15)16-10(13)7-4-3-5-8-9(7)12-11(17)18-8/h3-6H,1-2H3,(H,12,17)