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

Systemtic Name: methyl 2-[6-methyl-2-(4-oxidanylidenechromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methyl-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[oxo-(4-oxo-1-benzopyran-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methyl-2-(4-oxochromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ketochromene-2-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=CC(=O)C4=CC=CC=C4O3)S2)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=O)C4=CC=CC=C4O3)S2)CC(=O)OC

InChI

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