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

Systemtic Name: methyl 2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3-methylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC

InChI

InChI=1S/C15H21NO3S/c1-9(2)8-12(17)16-14-13(15(18)19-3)10-6-4-5-7-11(10)20-14/h9H,4-8H2,1-3H3,(H,16,17)