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

Systemtic Name: ethyl 6-tert-butyl-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-(m-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO3S/c1-6-27-22(26)19-17-11-10-16(23(3,4)5)13-18(17)28-21(19)24-20(25)15-9-7-8-14(2)12-15/h7-9,12,16H,6,10-11,13H2,1-5H3,(H,24,25)