[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetate CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetate Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C18H19NO5S/c1-12(20)13-5-6-17(23-2)14(8-13)10-25-11-18(22)24-9-16(21)15-4-3-7-19-15/h3-8,19H,9-11H2,1-2H3