2-[3-methyl-4-(2-methylphenyl)carbonyl-thieno[2,3-b]pyrrol-6-yl]propanoic acid

Systemtic Name: 2-[3-methyl-4-(2-methylphenyl)carbonyl-thieno[2,3-b]pyrrol-6-yl]propanoic acid Openeye Name: 2-[3-methyl-4-(2-methylbenzoyl)thieno[2,3-b]pyrrol-6-yl]propanoic acid CAS Name: 2-[3-methyl-4-[(2-methylphenyl)-oxomethyl]-6-thieno[2,3-b]pyrrolyl]propanoic acid IUPAC Name: 2-[3-methyl-4-(2-methylbenzoyl)thieno[2,3-b]pyrrol-6-yl]propanoic acid Traditional Name: 2-(3-methyl-4-o-toluoyl-thieno[2,3-b]pyrrol-6-yl)propionic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CN(C3=C2C(=CS3)C)C(C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CN(C3=C2C(=CS3)C)C(C)C(=O)O

InChI

InChI=1S/C18H17NO3S/c1-10-6-4-5-7-13(10)16(20)14-8-19(12(3)18(21)22)17-15(14)11(2)9-23-17/h4-9,12H,1-3H3,(H,21,22)