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

Systemtic Name: methyl 2-[6-acetamido-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(4-ketochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=COC4=CC=CC=C4C3=O)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=COC4=CC=CC=C4C3=O)S2)CC(=O)OC

InChI

InChI=1S/C22H17N3O6S/c1-12(26)23-13-7-8-16-18(9-13)32-22(25(16)10-19(27)30-2)24-21(29)15-11-31-17-6-4-3-5-14(17)20(15)28/h3-9,11H,10H2,1-2H3,(H,23,26)