(8-methoxy-6-oxidanylidene-benzo[c]chromen-3-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (8-methoxy-6-oxidanylidene-benzo[c]chromen-3-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-methoxy-6-oxo-benzo[c]chromen-3-yl) 2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-(phenylmethoxycarbonylamino)butanoic acid (8-methoxy-6-oxo-3-benzo[c][1]benzopyranyl) ester IUPAC Name: (8-methoxy-6-oxobenzo[c]chromen-3-yl) 4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-(methylthio)butyric acid (6-keto-8-methoxy-benzo[c]chromen-3-yl) ester Formula: C27H25NO7S MolecularWeight: 507.5549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4)OC2=O

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC(=O)C(CCSC)NC(=O)OCC4=CC=CC=C4)OC2=O

InChI

InChI=1S/C27H25NO7S/c1-32-18-8-10-20-21-11-9-19(15-24(21)35-25(29)22(20)14-18)34-26(30)23(12-13-36-2)28-27(31)33-16-17-6-4-3-5-7-17/h3-11,14-15,23H,12-13,16H2,1-2H3,(H,28,31)