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

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H20N2O7S2 MolecularWeight: 536.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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

CCOC(=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/C26H20N2O7S2/c1-3-34-23(29)14-28-20-10-9-16(37(2,32)33)12-22(20)36-26(28)27-24(30)19-13-18-17-7-5-4-6-15(17)8-11-21(18)35-25(19)31/h4-13H,3,14H2,1-2H3