methyl 4-methylsulfanyl-2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]butanoate Traditional Name: 2-[[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1C(=O)NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CC1C(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O4S2/c1-22-16(21)11(7-8-23-2)17-14(19)9-13-15(20)18-10-5-3-4-6-12(10)24-13/h3-6,11,13H,7-9H2,1-2H3,(H,17,19)(H,18,20)