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

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[(2-methyl-1-oxopropyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(isobutyrylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-12(2)18(23)22-19-17(15-5-4-6-16(15)28-19)21(25)27-11-13-7-9-14(10-8-13)20(24)26-3/h7-10,12H,4-6,11H2,1-3H3,(H,22,23)