ethyl 3-[2-(2,2-diphenylethanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-(2,2-diphenylethanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(2,2-diphenylacetyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-(1-oxo-2,2-diphenylethyl)imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,2-diphenylacetyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,2-diphenylacetyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H28N2O5S/c1-4-35-23(31)17-18-30-25-21(33-2)15-16-22(34-3)26(25)36-28(30)29-27(32)24(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,24H,4,17-18H2,1-3H3