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

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic 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] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-14-12-15-6-2-4-8-17(15)23(14)20(24)13-26-21(25)11-10-19-22-16-7-3-5-9-18(16)27-19/h2-9,14H,10-13H2,1H3/t14-/m0/s1