ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate

Systemtic Name: ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H20N2O3S/c1-2-25-20(24)14-10-12-15(13-11-14)21-18(23)8-5-9-19-22-16-6-3-4-7-17(16)26-19/h3-4,6-7,10-13H,2,5,8-9H2,1H3,(H,21,23)