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

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[4,7-dimethoxy-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(4-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,7-dimethoxy-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H26N2O6S/c1-4-34-23(30)16-17-29-24-21(32-2)14-15-22(33-3)25(24)36-27(29)28-26(31)18-10-12-20(13-11-18)35-19-8-6-5-7-9-19/h5-15H,4,16-17H2,1-3H3