[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H18N2O4S/c1-11-8-13(12(2)20(11)3)15(21)9-23-17(22)10-25-18-19-14-6-4-5-7-16(14)24-18/h4-8H,9-10H2,1-3H3