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

Systemtic Name: ethyl 2-(butanoylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(butanoylamino)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 5-methyl-2-(1-oxobutylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(butanoylamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-butyramido-5-methyl-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:

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

Isomeric SMILES

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

InChI

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