(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N=C(C=C2C)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(N=C(C=C2C)C)Cl

InChI

InChI=1S/C17H16ClN3O4S/c1-4-24-17(23)13-11(10(6-19)15(20)26-13)7-25-16(22)12-8(2)5-9(3)21-14(12)18/h5H,4,7,20H2,1-3H3