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

Systemtic Name: propyl 2-(2,2-dimethylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: propyl 2-(2,2-dimethylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-(2,2-dimethylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(pivaloylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid propyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)(C)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H27NO3S/c1-5-11-22-16(20)14-12-9-7-6-8-10-13(12)23-15(14)19-17(21)18(2,3)4/h5-11H2,1-4H3,(H,19,21)