methyl 3-(4,7-dimethoxy-2-naphthalen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(4,7-dimethoxy-2-naphthalen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(naphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[2-naphthalenyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(naphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(2-naphthoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=CC=CC=C4C=C3)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC4=CC=CC=C4C=C3)N2CCC(=O)OC

InChI

InChI=1S/C24H22N2O5S/c1-29-18-10-11-19(30-2)22-21(18)26(13-12-20(27)31-3)24(32-22)25-23(28)17-9-8-15-6-4-5-7-16(15)14-17/h4-11,14H,12-13H2,1-3H3