ethyl 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCC(C)C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C16H23NO3S/c1-4-10(3)14(18)17-15-13(16(19)20-5-2)11-8-6-7-9-12(11)21-15/h10H,4-9H2,1-3H3,(H,17,18)