3-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(2-anilino-2-oxo-ethyl)-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(2-anilino-2-oxoethyl)-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(2-anilino-2-oxoethyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(2-anilino-2-keto-ethyl)-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O

InChI

InChI=1S/C19H18N2O3S/c22-18(20-14-5-2-1-3-6-14)13-21-15(9-11-19(23)24)8-10-16(21)17-7-4-12-25-17/h1-8,10,12H,9,11,13H2,(H,20,22)(H,23,24)