2-[[3-aminocarbonyl-5-(1-phenylethyl)thiophen-2-yl]-(phenylcarbonyl)amino]ethanoic acid

Systemtic Name: 2-[[3-aminocarbonyl-5-(1-phenylethyl)thiophen-2-yl]-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[benzoyl-[3-carbamoyl-5-(1-phenylethyl)-2-thienyl]amino]acetic acid CAS Name: 2-[benzoyl-[3-carbamoyl-5-(1-phenylethyl)-2-thiophenyl]amino]acetic acid IUPAC Name: 2-[benzoyl-[3-carbamoyl-5-(1-phenylethyl)thiophen-2-yl]amino]acetic acid Traditional Name: 2-[benzoyl-[3-carbamoyl-5-(1-phenylethyl)-2-thienyl]amino]acetic acid Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(S2)N(CC(=O)O)C(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(S2)N(CC(=O)O)C(=O)C3=CC=CC=C3)C(=O)N

InChI

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