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

Systemtic Name: (2S)-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: (2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-(methylthio)propionic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)N[C@H](CSC)C(=O)O

InChI

InChI=1S/C16H17NO6S/c1-8-10-4-3-9(18)5-13(10)23-16(22)11(8)6-14(19)17-12(7-24-2)15(20)21/h3-5,12,18H,6-7H2,1-2H3,(H,17,19)(H,20,21)/t12-/m1/s1