ethyl 2-[[4-(2-methylpropoxy)phenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2-methylpropoxy)phenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(4-isobutoxyanilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[4-(2-methylpropoxy)anilino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-methylpropoxy)anilino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-isobutoxyanilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C21H27NO3S/c1-4-24-21(23)19-17-7-5-6-8-18(17)26-20(19)22-15-9-11-16(12-10-15)25-13-14(2)3/h9-12,14,22H,4-8,13H2,1-3H3