2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(3-nitrophenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-3-(3-nitrophenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(3-nitrophenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(3-nitrophenyl)-2-isoxazolin-5-yl]acetic acid Formula: C19H14N4O6S MolecularWeight: 426.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)O)C(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(=NOC1(CC(=O)O)C(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O6S/c24-16(25)10-19(17(26)21-18-20-13-6-1-2-7-15(13)30-18)9-14(22-29-19)11-4-3-5-12(8-11)23(27)28/h1-8H,9-10H2,(H,24,25)(H,20,21,26)