ethyl 2-[[2-(4-tert-butylphenyl)cyclopropyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-tert-butylphenyl)cyclopropyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-tert-butylphenyl)cyclopropyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H31NO3S/c1-5-29-24(28)21-17-8-6-7-9-20(17)30-23(21)26-22(27)19-14-18(19)15-10-12-16(13-11-15)25(2,3)4/h10-13,18-19H,5-9,14H2,1-4H3,(H,26,27)