ethyl 2-[(4-pentoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-pentoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-pentoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(4-pentoxyphenyl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-pentoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-amoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

InChI

InChI=1S/C24H31NO4S/c1-3-5-9-16-29-18-14-12-17(13-15-18)22(26)25-23-21(24(27)28-4-2)19-10-7-6-8-11-20(19)30-23/h12-15H,3-11,16H2,1-2H3,(H,25,26)