2-[1-benzothiophen-2-yl(prop-2-enoxycarbonyl)amino]ethanoic acid

Systemtic Name: 2-[1-benzothiophen-2-yl(prop-2-enoxycarbonyl)amino]ethanoic acid Openeye Name: 2-[allyloxycarbonyl(benzothiophen-2-yl)amino]acetic acid CAS Name: 2-[1-benzothiophen-2-yl-[oxo(prop-2-enoxy)methyl]amino]acetic acid IUPAC Name: 2-[1-benzothiophen-2-yl(prop-2-enoxycarbonyl)amino]acetic acid Traditional Name: 2-[allyloxycarbonyl(benzothiophen-2-yl)amino]acetic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N(CC(=O)O)C1=CC2=CC=CC=C2S1

Isomeric SMILES

C=CCOC(=O)N(CC(=O)O)C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C14H13NO4S/c1-2-7-19-14(18)15(9-13(16)17)12-8-10-5-3-4-6-11(10)20-12/h2-6,8H,1,7,9H2,(H,16,17)