1,3-benzothiazol-2-ylmethyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19NO3S/c23-18(16-9-8-14-4-3-5-15(14)12-16)10-11-21(24)25-13-20-22-17-6-1-2-7-19(17)26-20/h1-2,6-9,12H,3-5,10-11,13H2