(2S)-2-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-methylsulfanyl-butanamide; ethanoic acid

Systemtic Name: (2S)-2-azanyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)-4-methylsulfanyl-butanamide; ethanoic acid Openeye Name: acetic acid; (2S)-2-amino-N-(4-methyl-2-oxo-chromen-7-yl)-4-methylsulfanyl-butanamide CAS Name: acetic acid; (2S)-2-amino-N-(4-methyl-2-oxo-1-benzopyran-7-yl)-4-(methylthio)butanamide IUPAC Name: acetic acid; (2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-methylsulfanylbutanamide Traditional Name: acetic acid; (2S)-2-amino-N-(2-keto-4-methyl-chromen-7-yl)-4-(methylthio)butyramide Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCSC)N.CC(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCSC)N.CC(=O)O

InChI

InChI=1S/C15H18N2O3S.C2H4O2/c1-9-7-14(18)20-13-8-10(3-4-11(9)13)17-15(19)12(16)5-6-21-2;1-2(3)4/h3-4,7-8,12H,5-6,16H2,1-2H3,(H,17,19);1H3,(H,3,4)/t12-;/m0./s1