4-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)amino]-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[(3-carbamoyl-5-methyl-4-phenyl-2-thiophenyl)amino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)amino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)amino]-4-keto-2-phenyl-butyric acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC(C2=CC=CC=C2)C(=O)O)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC(C2=CC=CC=C2)C(=O)O)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-13-18(15-10-6-3-7-11-15)19(20(23)26)21(29-13)24-17(25)12-16(22(27)28)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,23,26)(H,24,25)(H,27,28)