[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c25-20(23-17-12-11-15-5-3-6-16(15)13-17)14-27-22(26)10-4-9-21-24-18-7-1-2-8-19(18)28-21/h1-2,7-8,11-13H,3-6,9-10,14H2,(H,23,25)