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

Systemtic Name: methyl 2-(2-pentanoyloxyethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-pentanoyloxyacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-oxopentoxy)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-pentanoyloxyacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-valeryloxyacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

InChI

InChI=1S/C18H25NO5S/c1-3-4-10-15(21)24-11-14(20)19-17-16(18(22)23-2)12-8-6-5-7-9-13(12)25-17/h3-11H2,1-2H3,(H,19,20)