1,3-benzothiazol-2-ylmethyl 4-(1H-indol-3-yl)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(1H-indol-3-yl)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O2S/c23-20(24-13-19-22-17-9-3-4-10-18(17)25-19)11-5-6-14-12-21-16-8-2-1-7-15(14)16/h1-4,7-10,12,21H,5-6,11,13H2