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

Systemtic Name: 3-[1-(4-aminocarbonyl-2-methyl-phenyl)-5-(5-bromanylthiophen-3-yl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[5-(5-bromo-3-thienyl)-1-(4-carbamoyl-2-methyl-phenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[5-(5-bromo-3-thiophenyl)-1-(4-carbamoyl-2-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[5-(5-bromothiophen-3-yl)-1-(4-carbamoyl-2-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[5-(5-bromo-3-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=CSC(=C3)Br)CCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CSC(=C3)Br)CCC(=O)O

InChI

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