[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O3S/c1-15-13-16-7-2-4-9-18(16)24(15)21(25)14-27-22(26)12-6-11-20-23-17-8-3-5-10-19(17)28-20/h2-5,7-10,15H,6,11-14H2,1H3/t15-/m0/s1