2-[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl]acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-[3-(4-chlorophenyl)-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl]acetyl]amino]-3-(methylthio)propionic acid Formula: C25H22ClNO6S MolecularWeight: 499.96328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Cl)CC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C4=CC=C(C=C4)Cl)CC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C25H22ClNO6S/c1-12-16-8-18-19(14-4-6-15(26)7-5-14)10-32-22(18)13(2)23(16)33-25(31)17(12)9-21(28)27-20(11-34-3)24(29)30/h4-8,10,20H,9,11H2,1-3H3,(H,27,28)(H,29,30)