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

Systemtic Name: ethyl 2-[6-acetamido-2-(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(3-oxobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-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-acetamido-2-(3-oxobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(3-ketobenzo[f]chromene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C27H21N3O6S MolecularWeight: 515.53714

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H21N3O6S/c1-3-35-24(32)14-30-21-10-9-17(28-15(2)31)12-23(21)37-27(30)29-25(33)20-13-19-18-7-5-4-6-16(18)8-11-22(19)36-26(20)34/h4-13H,3,14H2,1-2H3,(H,28,31)