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

Systemtic Name: methyl 3-(4,7-dimethoxy-2-naphthalen-1-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(naphthalene-1-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[1-naphthalenyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(naphthalene-1-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(1-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=CC=CC4=CC=CC=C43)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC=CC4=CC=CC=C43)N2CCC(=O)OC

InChI

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