methyl 2-[6-methyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ketochromene-3-carbonyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=COC4=CC=CC=C4C3=O)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=COC4=CC=CC=C4C3=O)S2)CC(=O)OC

InChI

InChI=1S/C21H16N2O5S/c1-12-7-8-15-17(9-12)29-21(23(15)10-18(24)27-2)22-20(26)14-11-28-16-6-4-3-5-13(16)19(14)25/h3-9,11H,10H2,1-2H3