methyl (2S)-4-methylsulfanyl-2-[(2-oxidanylidenechromen-6-yl)carbamoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(2-oxidanylidenechromen-6-yl)carbamoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(2-oxochromen-6-yl)carbamoylamino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[(2-oxo-1-benzopyran-6-yl)amino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(2-oxochromen-6-yl)carbamoylamino]butanoate Traditional Name: (2S)-2-[(2-ketochromen-6-yl)carbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2

InChI

InChI=1S/C16H18N2O5S/c1-22-15(20)12(7-8-24-2)18-16(21)17-11-4-5-13-10(9-11)3-6-14(19)23-13/h3-6,9,12H,7-8H2,1-2H3,(H2,17,18,21)/t12-/m0/s1