ethyl 4-[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-propionamido-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C21H21N3O4S2/c1-3-18(25)23-15-9-10-16-17(11-15)30-21(24-16)29-12-19(26)22-14-7-5-13(6-8-14)20(27)28-4-2/h5-11H,3-4,12H2,1-2H3,(H,22,26)(H,23,25)