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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

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