(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-azanyl-4-methylsulfanyl-butanoate chloride

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-azanyl-4-methylsulfanyl-butanoate chloride Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 2-amino-4-methylsulfanyl-butanoate chloride CAS Name: 2-amino-4-(methylthio)butanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester chloride IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 2-amino-4-methylsulfanylbutanoate chloride Traditional Name: 2-amino-4-(methylthio)butyric acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester chloride Formula: C17H21ClNO4S- MolecularWeight: 370.87094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(CCSC)N.[Cl-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(CCSC)N.[Cl-]

InChI

InChI=1S/C17H21NO4S.ClH/c1-4-11-8-12-10(2)7-16(19)21-15(12)9-14(11)22-17(20)13(18)5-6-23-3;/h7-9,13H,4-6,18H2,1-3H3;1H/p-1