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

Systemtic Name: 2-methoxyethyl 2-(3,3-dimethylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-18(2,3)11-14(20)19-16-15(17(21)23-10-9-22-4)12-7-5-6-8-13(12)24-16/h5-11H2,1-4H3,(H,19,20)