(2S)-2-azanyl-N-[(E)-(6-methyl-4-oxidanylidene-chromen-3-yl)methylideneamino]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-azanyl-N-[(E)-(6-methyl-4-oxidanylidene-chromen-3-yl)methylideneamino]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-amino-N-[(E)-(6-methyl-4-oxo-chromen-3-yl)methyleneamino]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-amino-N-[(E)-(6-methyl-4-oxo-1-benzopyran-3-yl)methylideneamino]-4-(methylthio)butanamide IUPAC Name: (2S)-2-amino-N-[(E)-(6-methyl-4-oxochromen-3-yl)methylideneamino]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-amino-N-[(E)-(4-keto-6-methyl-chromen-3-yl)methyleneamino]-4-(methylthio)butyramide Formula: C16H19N3O3S MolecularWeight: 333.40536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C=NNC(=O)C(CCSC)N

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)/C=N/NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C16H19N3O3S/c1-10-3-4-14-12(7-10)15(20)11(9-22-14)8-18-19-16(21)13(17)5-6-23-2/h3-4,7-9,13H,5-6,17H2,1-2H3,(H,19,21)/b18-8+/t13-/m0/s1