ethyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoic acid ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S/c1-2-24-19(23)13-6-5-7-14(12-13)20-17(22)10-11-18-21-15-8-3-4-9-16(15)25-18/h3-9,12H,2,10-11H2,1H3,(H,20,22)