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

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(2-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[3-(2-allyloxyphenyl)-5-(1,3-benzothiazol-2-ylcarbamoyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-3-(2-prop-2-enoxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylcarbamoyl)-3-(2-prop-2-enoxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[3-(2-allyloxyphenyl)-5-(1,3-benzothiazol-2-ylcarbamoyl)-2-isoxazolin-5-yl]acetic acid Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C2=NOC(C2)(CC(=O)O)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C=CCOC1=CC=CC=C1C2=NOC(C2)(CC(=O)O)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N3O5S/c1-2-11-29-17-9-5-3-7-14(17)16-12-22(30-25-16,13-19(26)27)20(28)24-21-23-15-8-4-6-10-18(15)31-21/h2-10H,1,11-13H2,(H,26,27)(H,23,24,28)