2-[5-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-[(3-cyanobenzothiophen-2-yl)carbamoyl]-3-(3-nitrophenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[[(3-cyano-1-benzothiophen-2-yl)amino]-oxomethyl]-3-(3-nitrophenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-[(3-cyanobenzothiophen-2-yl)carbamoyl]-3-(3-nitrophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C21H14N4O6S MolecularWeight: 450.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)O)C(=O)NC2=C(C3=CC=CC=C3S2)C#N)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NOC1(CC(=O)O)C(=O)NC2=C(C3=CC=CC=C3S2)C#N)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6S/c22-11-15-14-6-1-2-7-17(14)32-19(15)23-20(28)21(10-18(26)27)9-16(24-31-21)12-4-3-5-13(8-12)25(29)30/h1-8H,9-10H2,(H,23,28)(H,26,27)