ethyl 2-[(4-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-methylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-mesylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O5S2/c1-3-25-17(22)12-6-9-14-15(10-12)26-18(19-14)20-16(21)11-4-7-13(8-5-11)27(2,23)24/h4-10H,3H2,1-2H3,(H,19,20,21)