(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C28H24ClNO6S MolecularWeight: 538.01126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H24ClNO6S/c1-37-13-12-23(30-28(33)34-17-18-8-4-2-5-9-18)27(32)36-25-16-24-21(14-22(25)29)20(15-26(31)35-24)19-10-6-3-7-11-19/h2-11,14-16,23H,12-13,17H2,1H3,(H,30,33)