methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[5-(1,3-benzothiazol-2-yl)-2-furanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[5-(1,3-benzothiazol-2-yl)-2-furoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(O1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(O1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O4S2/c1-23-18(22)12(9-10-25-2)19-16(21)13-7-8-14(24-13)17-20-11-5-3-4-6-15(11)26-17/h3-8,12H,9-10H2,1-2H3,(H,19,21)/t12-/m0/s1