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

Systemtic Name: ethyl 2-[2-(4-tert-butylphenyl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-tert-butylphenyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(4-tert-butylphenyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29NO3S2/c1-5-27-22(26)20-17-8-6-7-9-18(17)29-21(20)24-19(25)14-28-16-12-10-15(11-13-16)23(2,3)4/h10-13H,5-9,14H2,1-4H3,(H,24,25)