ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(1-tosylprolyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H23N3O5S2 MolecularWeight: 473.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H23N3O5S2/c1-3-30-21(27)15-8-11-17-19(13-15)31-22(23-17)24-20(26)18-5-4-12-25(18)32(28,29)16-9-6-14(2)7-10-16/h6-11,13,18H,3-5,12H2,1-2H3,(H,23,24,26)