ethyl 4-(4-butylphenyl)-5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-butylphenyl)-5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-butylphenyl)-5-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiophene-3-carboxylate CAS Name: 4-(4-butylphenyl)-5-methyl-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butylphenyl)-5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-(4-butylphenyl)-5-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO3S2 MolecularWeight: 481.66994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CSC4=C3CCCC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CSC4=C3CCCC4)C

InChI

InChI=1S/C27H31NO3S2/c1-4-6-9-18-12-14-19(15-13-18)23-17(3)33-26(24(23)27(30)31-5-2)28-25(29)21-16-32-22-11-8-7-10-20(21)22/h12-16H,4-11H2,1-3H3,(H,28,29)