[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O4S/c1-13(21(25)15-10-22-16-7-3-2-6-14(15)16)27-20(24)12-26-11-19-23-17-8-4-5-9-18(17)28-19/h2-10,13,22H,11-12H2,1H3/t13-/m1/s1