ethyl 5-azanyl-3-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C18H20ClN3O3S/c1-4-25-18(23)16-14(13(8-20)17(21)26-16)10-22(2)9-11-7-12(19)5-6-15(11)24-3/h5-7H,4,9-10,21H2,1-3H3