methyl 2-[2-(2-phenylbutanoyloxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-phenylbutanoyloxy)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-phenylbutanoyloxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-oxo-2-phenylbutoxy)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-phenylbutanoyloxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(2-phenylbutanoyloxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-3-14(13-8-5-4-6-9-13)20(24)27-12-17(23)22-19-18(21(25)26-2)15-10-7-11-16(15)28-19/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,22,23)