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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S2/c1-5-30-19(26)14(4)22-20(27)23-15-10-13(3)18-17(11-15)31-21(24-18)25-32(28,29)16-8-6-12(2)7-9-16/h6-11,14H,5H2,1-4H3,(H,24,25)(H2,22,23,27)