ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1,3-benzoxazol-2-ylthio)-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(1,3-benzoxazol-2-ylsulfanyl)butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(1,3-benzoxazol-2-ylthio)butanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H19N3O4S2 MolecularWeight: 429.51256

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C20H19N3O4S2/c1-4-15(28-20-22-13-8-6-7-9-14(13)27-20)17(24)23-18-12(10-21)11(3)16(29-18)19(25)26-5-2/h6-9,15H,4-5H2,1-3H3,(H,23,24)