2-[[6-[(5-methylsulfonylthiophen-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(5-methylsulfonylthiophen-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(5-methylsulfonylthiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(5-methylsulfonylthiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(5-mesylthiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C17H16N2O5S4 MolecularWeight: 456.57934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C17H16N2O5S4/c1-10(20)24-7-8-25-17-19-12-4-3-11(9-14(12)27-17)18-16(21)13-5-6-15(26-13)28(2,22)23/h3-6,9H,7-8H2,1-2H3,(H,18,21)