2-[1-benzothiophen-2-yl-[(4-nitrophenyl)methoxycarbonyl]amino]ethanoic acid

Systemtic Name: 2-[1-benzothiophen-2-yl-[(4-nitrophenyl)methoxycarbonyl]amino]ethanoic acid Openeye Name: 2-[benzothiophen-2-yl-[(4-nitrophenyl)methoxycarbonyl]amino]acetic acid CAS Name: 2-[1-benzothiophen-2-yl-[(4-nitrophenyl)methoxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[1-benzothiophen-2-yl-[(4-nitrophenyl)methoxycarbonyl]amino]acetic acid Traditional Name: 2-[benzothiophen-2-yl-(4-nitrobenzyl)oxycarbonyl-amino]acetic acid Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)N(CC(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)N(CC(=O)O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c21-17(22)10-19(16-9-13-3-1-2-4-15(13)27-16)18(23)26-11-12-5-7-14(8-6-12)20(24)25/h1-9H,10-11H2,(H,21,22)