tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-2-oxidanylidene-indol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-2-oxidanylidene-indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylene)-2-oxo-indolin-1-yl]acetate CAS Name: 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-2-oxo-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-2-oxoindol-1-yl]acetate Traditional Name: 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylene)-2-keto-indolin-1-yl]acetic acid tert-butyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=CC3=NC4=CC=CC=C4S3)C1=O

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2/C(=C\C3=NC4=CC=CC=C4S3)/C1=O

InChI

InChI=1S/C22H20N2O3S/c1-22(2,3)27-20(25)13-24-17-10-6-4-8-14(17)15(21(24)26)12-19-23-16-9-5-7-11-18(16)28-19/h4-12H,13H2,1-3H3/b15-12+