(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=C(SC(=C3C#N)N)C(=O)OCC

InChI

InChI=1S/C20H22N2O4S2/c1-3-11-5-6-15-12(7-11)8-16(27-15)19(23)26-10-14-13(9-21)18(22)28-17(14)20(24)25-4-2/h8,11H,3-7,10,22H2,1-2H3/t11-/m0/s1