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

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(3-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4)N2CCC(=O)OC

InChI

InChI=1S/C26H24N2O6S/c1-31-20-12-13-21(32-2)24-23(20)28(15-14-22(29)33-3)26(35-24)27-25(30)17-8-7-11-19(16-17)34-18-9-5-4-6-10-18/h4-13,16H,14-15H2,1-3H3