2-[[6-[(2-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(2-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(2-methylsulfonylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(2-methylsulfonylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(2-mesylbenzoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C19H18N2O5S3 MolecularWeight: 450.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H18N2O5S3/c1-12(22)26-9-10-27-19-21-15-8-7-13(11-16(15)28-19)20-18(23)14-5-3-4-6-17(14)29(2,24)25/h3-8,11H,9-10H2,1-2H3,(H,20,23)