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

Systemtic Name: 2-azanyl-3-[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 2-amino-3-[[4-(2-ethylphenyl)benzothiophene-2-carbonyl]amino]propanoic acid CAS Name: 2-amino-3-[[[4-(2-ethylphenyl)-1-benzothiophen-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[[4-(2-ethylphenyl)-1-benzothiophene-2-carbonyl]amino]propanoic acid Traditional Name: 2-amino-3-[[4-(2-ethylphenyl)benzothiophene-2-carbonyl]amino]propionic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)C(=O)NCC(C(=O)O)N

Isomeric SMILES

CCC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)C(=O)NCC(C(=O)O)N

InChI

InChI=1S/C20H20N2O3S/c1-2-12-6-3-4-7-13(12)14-8-5-9-17-15(14)10-18(26-17)19(23)22-11-16(21)20(24)25/h3-10,16H,2,11,21H2,1H3,(H,22,23)(H,24,25)