(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C26H22ClNO5S MolecularWeight: 495.97458

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H22ClNO5S/c1-34-13-12-21(28-25(30)19-8-4-5-9-20(19)27)26(31)32-15-17-14-23(29)33-22-11-10-16-6-2-3-7-18(16)24(17)22/h2-11,14,21H,12-13,15H2,1H3,(H,28,30)