2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethanoic acid

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-propanoyl)-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(6-methoxychroman-4-yl)amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(6-methoxy-3,4-dihydro-2H-1-benzopyran-4-yl)amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(6-methoxychroman-4-yl)amino]acetic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1CCOC2=C1C=C(C=C2)OC

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CC(=O)O)C1CCOC2=C1C=C(C=C2)OC

InChI

InChI=1S/C18H23NO6S/c1-11(10-26-12(2)20)18(23)19(9-17(21)22)15-6-7-25-16-5-4-13(24-3)8-14(15)16/h4-5,8,11,15H,6-7,9-10H2,1-3H3,(H,21,22)