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

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[2-(1-naphthalenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-naphthalen-1-ylacetyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CC3=CC=CC4=CC=CC=C43)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)CC3=CC=CC4=CC=CC=C43)N2CCC(=O)OC

InChI

InChI=1S/C25H24N2O5S/c1-30-19-11-12-20(31-2)24-23(19)27(14-13-22(29)32-3)25(33-24)26-21(28)15-17-9-6-8-16-7-4-5-10-18(16)17/h4-12H,13-15H2,1-3H3