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

Systemtic Name: ethyl 6-tert-butyl-2-[(2-phenethylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(2-phenethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[oxo-(2-phenethylphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(2-phenethylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2-phenethylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C30H35NO3S MolecularWeight: 489.6688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C30H35NO3S/c1-5-34-29(33)26-24-18-17-22(30(2,3)4)19-25(24)35-28(26)31-27(32)23-14-10-9-13-21(23)16-15-20-11-7-6-8-12-20/h6-14,22H,5,15-19H2,1-4H3,(H,31,32)