methyl 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(1,3-benzoxazol-2-ylthio)acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H20N2O4S/c1-14-12-18(15(2)25(14)17-10-8-16(9-11-17)22(27)28-3)20(26)13-30-23-24-19-6-4-5-7-21(19)29-23/h4-12H,13H2,1-3H3