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

Systemtic Name: ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbamoylamino]propanoate Openeye Name: ethyl 2-[[2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]carbamoylamino]propanoate CAS Name: 2-[[[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]carbamoylamino]propanoate Traditional Name: 2-[[2-(tosylamino)-1,3-benzothiazol-6-yl]carbamoylamino]propionic acid ethyl ester Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22N4O5S2/c1-4-29-18(25)13(3)21-19(26)22-14-7-10-16-17(11-14)30-20(23-16)24-31(27,28)15-8-5-12(2)6-9-15/h5-11,13H,4H2,1-3H3,(H,23,24)(H2,21,22,26)