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

Systemtic Name: ethyl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(1-oxo-2-phenylbutyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-phenylbutanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3S/c1-3-16(15-11-7-5-8-12-15)20(24)23-21-19(22(25)26-4-2)17-13-9-6-10-14-18(17)27-21/h5,7-8,11-12,16H,3-4,6,9-10,13-14H2,1-2H3,(H,23,24)