ethyl 2-(1,3-benzothiazol-2-ylamino)-4-phenyl-butanoate

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-phenyl-butanoate Openeye Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-phenyl-butanoate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzothiazol-2-ylamino)-4-phenylbutanoate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-4-phenyl-butyric acid ethyl ester Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N2O2S/c1-2-23-18(22)16(13-12-14-8-4-3-5-9-14)21-19-20-15-10-6-7-11-17(15)24-19/h3-11,16H,2,12-13H2,1H3,(H,20,21)