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

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ketochromene-3-carbonyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C23H20N2O7S MolecularWeight: 468.4791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=COC4=CC=CC=C4C3=O)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=COC4=CC=CC=C4C3=O)N2CCC(=O)OC

InChI

InChI=1S/C23H20N2O7S/c1-29-16-8-9-17(30-2)21-19(16)25(11-10-18(26)31-3)23(33-21)24-22(28)14-12-32-15-7-5-4-6-13(15)20(14)27/h4-9,12H,10-11H2,1-3H3