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

Systemtic Name: ethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(1,3-benzoxazol-2-ylthio)-1-oxopropyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1,3-benzoxazol-2-ylsulfanyl)propanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(1,3-benzoxazol-2-ylthio)propanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3O2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=NC3=CC=CC=C3O2)C#N)C

InChI

InChI=1S/C19H17N3O4S2/c1-3-25-18(24)16-11(2)12(10-20)17(28-16)22-15(23)8-9-27-19-21-13-6-4-5-7-14(13)26-19/h4-7H,3,8-9H2,1-2H3,(H,22,23)