methyl (2S)-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]-4-(methylthio)butyric acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C15H18N2O4S/c1-9-5-4-6-10-12(9)14(19)21-15(16-10)17-11(7-8-22-3)13(18)20-2/h4-6,11H,7-8H2,1-3H3,(H,16,17)/t11-/m0/s1