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

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-[4-(phenylmethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-(4-benzylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-[4-(phenylmethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4-benzylbenzoyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-benzylbenzoyl)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)C3=CC=C(C=C3)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)OC)OC

InChI

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