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

Systemtic Name: ethyl 3-[(1-phenylcyclopentyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 3-[[oxo-(1-phenylcyclopentyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(1-phenylcyclopentanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCCC2)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO3S/c1-2-27-21(25)20-19(17-12-6-7-13-18(17)28-20)24-22(26)23(14-8-9-15-23)16-10-4-3-5-11-16/h3-5,10-11H,2,6-9,12-15H2,1H3,(H,24,26)