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

Systemtic Name: propyl 2-(2-ethylhexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-(2-ethylhexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(2-ethylhexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C21H33NO3S MolecularWeight: 379.55662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OCCC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OCCC

InChI

InChI=1S/C21H33NO3S/c1-4-7-11-15(6-3)19(23)22-20-18(21(24)25-14-5-2)16-12-9-8-10-13-17(16)26-20/h15H,4-14H2,1-3H3,(H,22,23)