2-[5-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]-3-(3-methoxy-4-propan-2-yloxy-phenyl)-4H-1,2-oxazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]-3-(3-methoxy-4-propan-2-yloxy-phenyl)-4H-1,2-oxazol-5-yl]ethanoic acid Openeye Name: 2-[5-[(3-cyanobenzothiophen-2-yl)carbamoyl]-3-(4-isopropoxy-3-methoxy-phenyl)-4H-isoxazol-5-yl]acetic acid CAS Name: 2-[5-[[(3-cyano-1-benzothiophen-2-yl)amino]-oxomethyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)-4H-isoxazol-5-yl]acetic acid IUPAC Name: 2-[5-[(3-cyano-1-benzothiophen-2-yl)carbamoyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)-4H-1,2-oxazol-5-yl]acetic acid Traditional Name: 2-[5-[(3-cyanobenzothiophen-2-yl)carbamoyl]-3-(4-isopropoxy-3-methoxy-phenyl)-2-isoxazolin-5-yl]acetic acid Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3=C(C4=CC=CC=C4S3)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=NOC(C2)(CC(=O)O)C(=O)NC3=C(C4=CC=CC=C4S3)C#N)OC

InChI

InChI=1S/C25H23N3O6S/c1-14(2)33-19-9-8-15(10-20(19)32-3)18-11-25(34-28-18,12-22(29)30)24(31)27-23-17(13-26)16-6-4-5-7-21(16)35-23/h4-10,14H,11-12H2,1-3H3,(H,27,31)(H,29,30)