ethyl 5-azanyl-4-cyano-3-[2-(4-methoxyphenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(4-methoxyphenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(4-methoxyphenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[(4-methoxyphenyl)thio]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(4-methoxyphenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[(4-methoxyphenyl)thio]acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H18N2O5S2/c1-3-24-18(22)16-14(13(8-19)17(20)27-16)9-25-15(21)10-26-12-6-4-11(23-2)5-7-12/h4-7H,3,9-10,20H2,1-2H3