methyl 2-[6-methylsulfonyl-2-(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-(3-oxobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(3-oxobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-ketobenzo[f]chromene-2-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H18N2O7S2 MolecularWeight: 522.54962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O

InChI

InChI=1S/C25H18N2O7S2/c1-33-22(28)13-27-19-9-8-15(36(2,31)32)11-21(19)35-25(27)26-23(29)18-12-17-16-6-4-3-5-14(16)7-10-20(17)34-24(18)30/h3-12H,13H2,1-2H3