2-[2-(7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(7-methoxy-8-methyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(7-methoxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]propanoic acid CAS Name: 2-[[2-(7-methoxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(7-methoxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-7-methoxy-8-methyl-chromen-4-yl)acetyl]amino]propionic acid Formula: C23H23NO6S MolecularWeight: 441.49682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C23H23NO6S/c1-14-19(29-2)9-8-17-16(11-21(26)30-22(14)17)10-20(25)24-18(23(27)28)13-31-12-15-6-4-3-5-7-15/h3-9,11,18H,10,12-13H2,1-2H3,(H,24,25)(H,27,28)