methyl 4-ethyl-5-methyl-2-(octanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-(1-oxooctylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H27NO3S MolecularWeight: 325.46618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C(=C(S1)C)CC)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C(=C(S1)C)CC)C(=O)OC

InChI

InChI=1S/C17H27NO3S/c1-5-7-8-9-10-11-14(19)18-16-15(17(20)21-4)13(6-2)12(3)22-16/h5-11H2,1-4H3,(H,18,19)