(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C16H21N3O6S2 MolecularWeight: 415.48444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H21N3O6S2/c1-3-24-16(21)13-12(11(8-17)14(18)26-13)9-25-15(20)10-4-6-19(7-5-10)27(2,22)23/h10H,3-7,9,18H2,1-2H3