methyl 3-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(1,3-benzoxazol-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H20N2O4S/c1-12-10-14(13(2)21(12)9-8-18(23)24-3)16(22)11-26-19-20-15-6-4-5-7-17(15)25-19/h4-7,10H,8-9,11H2,1-3H3