ethyl 6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[(2-methyl-1-oxopropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(isobutyrylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H29NO3S MolecularWeight: 351.50346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C)C

InChI

InChI=1S/C19H29NO3S/c1-7-23-18(22)15-13-9-8-12(19(4,5)6)10-14(13)24-17(15)20-16(21)11(2)3/h11-12H,7-10H2,1-6H3,(H,20,21)