2-azanyl-3-[[4-(2,4-dichlorophenyl)-1-benzothiophen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[[4-(2,4-dichlorophenyl)-1-benzothiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-(2,4-dichlorophenyl)benzothiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[[4-(2,4-dichlorophenyl)-1-benzothiophen-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-(2,4-dichlorophenyl)-1-benzothiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[[4-(2,4-dichlorophenyl)benzothiophene-2-carbonyl]amino]propionic acid Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NCC(C(=O)O)N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NCC(C(=O)O)N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O3S/c19-9-4-5-11(13(20)6-9)10-2-1-3-15-12(10)7-16(26-15)17(23)22-8-14(21)18(24)25/h1-7,14H,8,21H2,(H,22,23)(H,24,25)