ethyl 5-[2-[2-(1,3-benzoxazol-2-yl)phenyl]carbonyloxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[2-(1,3-benzoxazol-2-yl)phenyl]carbonyloxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[[2-(1,3-benzoxazol-2-yl)phenyl]-oxomethoxy]-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxybutanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C27H23N3O6S MolecularWeight: 517.55302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H23N3O6S/c1-4-20(23(31)30-25-18(14-28)15(3)22(37-25)27(33)34-5-2)36-26(32)17-11-7-6-10-16(17)24-29-19-12-8-9-13-21(19)35-24/h6-13,20H,4-5H2,1-3H3,(H,30,31)