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

Systemtic Name: 2-[2-(7-methoxy-2-oxidanylidene-chromen-4-yl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 3-benzylsulfanyl-2-[[2-(7-methoxy-2-oxo-chromen-4-yl)acetyl]amino]propanoic acid CAS Name: 2-[[2-(7-methoxy-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 3-benzylsulfanyl-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoic acid Traditional Name: 3-(benzylthio)-2-[[2-(2-keto-7-methoxy-chromen-4-yl)acetyl]amino]propionic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO6S/c1-28-16-7-8-17-15(10-21(25)29-19(17)11-16)9-20(24)23-18(22(26)27)13-30-12-14-5-3-2-4-6-14/h2-8,10-11,18H,9,12-13H2,1H3,(H,23,24)(H,26,27)