methyl 2-[(3-ethylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-ethylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-ethylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-ethylsulfonylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-ethylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-esylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

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