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

Systemtic Name: methyl 3-[2-(2,2-diphenylethanoylimino)-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N2CCC(=O)OC

InChI

InChI=1S/C27H26N2O5S/c1-32-20-14-15-21(33-2)25-24(20)29(17-16-22(30)34-3)27(35-25)28-26(31)23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-15,23H,16-17H2,1-3H3