[2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(3S)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[(3S)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)C(=O)COC(=O)CCC3=NC4=CC=CC=C4S3)NC1=O

InChI

InChI=1S/C21H18N2O4S/c1-12-14-10-13(6-7-15(14)23-21(12)26)17(24)11-27-20(25)9-8-19-22-16-4-2-3-5-18(16)28-19/h2-7,10,12H,8-9,11H2,1H3,(H,23,26)/t12-/m0/s1