[1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate

Systemtic Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 1,3-benzoxazole-5-carboxylate Openeye Name: 1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]propyl 1,3-benzoxazole-5-carboxylate CAS Name: 1,3-benzoxazole-5-carboxylic acid [1-[(3-cyano-5-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-1-oxobutan-2-yl] 1,3-benzoxazole-5-carboxylate Traditional Name: 1,3-benzoxazole-5-carboxylic acid 1-[(5-carbethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]propyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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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=CC3=C(C=C2)OC=N3

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC3=C(C=C2)OC=N3

InChI

InChI=1S/C21H19N3O6S/c1-4-15(30-20(26)12-6-7-16-14(8-12)23-10-29-16)18(25)24-19-13(9-22)11(3)17(31-19)21(27)28-5-2/h6-8,10,15H,4-5H2,1-3H3,(H,24,25)