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

Systemtic Name: methyl 2-[[6-[(5-methylsulfonylthiophen-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[(5-methylsulfonylthiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[(5-methylsulfonylthiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(5-mesylthiophene-2-carbonyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C16H14N2O5S4 MolecularWeight: 442.55276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(S3)S(=O)(=O)C

InChI

InChI=1S/C16H14N2O5S4/c1-23-13(19)8-24-16-18-10-4-3-9(7-12(10)26-16)17-15(20)11-5-6-14(25-11)27(2,21)22/h3-7H,8H2,1-2H3,(H,17,20)