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

Systemtic Name: 2-[2-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-(7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-(2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C17H19NO6S MolecularWeight: 365.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-9-11-5-4-10(23-2)6-14(11)24-17(22)12(9)7-15(19)18-13(8-25-3)16(20)21/h4-6,13H,7-8H2,1-3H3,(H,18,19)(H,20,21)