(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H16ClNO5S MolecularWeight: 477.91624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H16ClNO5S/c26-23-17-7-3-4-8-19(17)33-24(23)25(30)27-12-21(29)31-13-15-11-20(28)32-18-10-9-14-5-1-2-6-16(14)22(15)18/h1-11H,12-13H2,(H,27,30)