3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(5-bromanylthiophen-2-yl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(5-bromanylthiophen-2-yl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(5-bromo-2-thienyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(5-bromo-2-thiophenyl)-1-(4-carbamoyl-2-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(5-bromothiophen-2-yl)-1-(4-carbamoyl-2-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(5-bromo-2-thienyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propionic acid Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(S3)Br)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(S3)Br)CCC(=O)O

InChI

InChI=1S/C19H17BrN2O3S/c1-11-10-12(19(21)25)2-5-14(11)22-13(4-9-18(23)24)3-6-15(22)16-7-8-17(20)26-16/h2-3,5-8,10H,4,9H2,1H3,(H2,21,25)(H,23,24)