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

Systemtic Name: ethyl 2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(3,3-dimethyl-1-oxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C17H25NO3S/c1-5-21-16(20)14-11-8-6-7-9-12(11)22-15(14)18-13(19)10-17(2,3)4/h5-10H2,1-4H3,(H,18,19)