methyl 2-[2-[2-(propanoylamino)phenyl]carbonyloxyethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-[2-(propanoylamino)phenyl]carbonyloxyethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-[2-(propanoylamino)benzoyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[oxo-[2-(1-oxopropylamino)phenyl]methoxy]ethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(propanoylamino)benzoyl]oxyacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-propionamidobenzoyl)oxyacetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC=CC=C1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O6S/c1-3-17(25)22-14-7-5-4-6-13(14)20(28)30-11-18(26)24-21-23-15-9-8-12(19(27)29-2)10-16(15)31-21/h4-10H,3,11H2,1-2H3,(H,22,25)(H,23,24,26)