2-[[2-(1-benzothiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-(1-benzothiophen-2-ylcarbonylamino)phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(benzothiophene-2-carbonylamino)benzoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-[[1-benzothiophen-2-yl(oxo)methyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-(1-benzothiophene-2-carbonylamino)benzoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(benzothiophene-2-carbonylamino)benzoyl]amino]-3-phenyl-propionic acid Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H20N2O4S/c28-23(27-20(25(30)31)14-16-8-2-1-3-9-16)18-11-5-6-12-19(18)26-24(29)22-15-17-10-4-7-13-21(17)32-22/h1-13,15,20H,14H2,(H,26,29)(H,27,28)(H,30,31)