[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CN1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S/c1-25-11-9-15(20-17(22)13-6-3-2-4-7-13)18(23)24-12-16(21)14-8-5-10-19-14/h2-8,10,15,19H,9,11-12H2,1H3,(H,20,22)