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

Systemtic Name: ethyl 2-[(4-propoxyphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-propoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[oxo-(4-propoxyphenyl)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-propoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-propoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC

InChI

InChI=1S/C22H27NO4S/c1-3-14-27-16-12-10-15(11-13-16)20(24)23-21-19(22(25)26-4-2)17-8-6-5-7-9-18(17)28-21/h10-13H,3-9,14H2,1-2H3,(H,23,24)