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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-chromen-4-yl)-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-(6-chlorochroman-4-yl)amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-(6-chloro-3,4-dihydro-2H-1-benzopyran-4-yl)amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-(6-chloro-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-(6-chlorochroman-4-yl)amino]acetic acid Formula: C17H20ClNO5S MolecularWeight: 385.8624

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO5S/c1-10(9-25-11(2)20)17(23)19(8-16(21)22)14-5-6-24-15-4-3-12(18)7-13(14)15/h3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,21,22)