(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-(2-methylpropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)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 (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)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 (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(SC3=C2CCC3)NC(=O)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(SC3=C2CCC3)NC(=O)C(C)C

InChI

InChI=1S/C21H23N3O5S2/c1-4-28-21(27)16-13(12(8-22)17(23)31-16)9-29-20(26)15-11-6-5-7-14(11)30-19(15)24-18(25)10(2)3/h10H,4-7,9,23H2,1-3H3,(H,24,25)