3-[(3,5-dimethylphenyl)-thiophen-2-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-thiophen-2-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[3,5-dimethyl-N-(thiophene-2-carbonyl)anilino]propanoic acid CAS Name: 3-(3,5-dimethyl-N-[oxo(thiophen-2-yl)methyl]anilino)propanoic acid IUPAC Name: 3-[3,5-dimethyl-N-(thiophene-2-carbonyl)anilino]propanoic acid Traditional Name: 3-[3,5-dimethyl-N-(2-thenoyl)anilino]propionic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)O)C(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)O)C(=O)C2=CC=CS2)C

InChI

InChI=1S/C16H17NO3S/c1-11-8-12(2)10-13(9-11)17(6-5-15(18)19)16(20)14-4-3-7-21-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)