2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[2-(2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]-4-(methylthio)butyrate Formula: C18H20NO6S- MolecularWeight: 378.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C18H21NO6S/c1-10-8-16(20)25-15-9-12(4-5-13(10)15)24-11(2)17(21)19-14(18(22)23)6-7-26-3/h4-5,8-9,11,14H,6-7H2,1-3H3,(H,19,21)(H,22,23)/p-1