ethyl 3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbamoylamino]propanoate

Systemtic Name: ethyl 3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbamoylamino]propanoate Openeye Name: ethyl 3-[[4-methyl-2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]carbamoylamino]propanoate CAS Name: 3-[[[[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbamoylamino]propanoate Traditional Name: 3-[[4-methyl-2-(tosylamino)-1,3-benzothiazol-6-yl]carbamoylamino]propionic acid ethyl ester Formula: C21H24N4O5S2 MolecularWeight: 476.56906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NC1=CC2=C(C(=C1)C)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCNC(=O)NC1=CC2=C(C(=C1)C)N=C(S2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N4O5S2/c1-4-30-18(26)9-10-22-20(27)23-15-11-14(3)19-17(12-15)31-21(24-19)25-32(28,29)16-7-5-13(2)6-8-16/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25)(H2,22,23,27)