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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(2-methylphenyl)sulfanylethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(o-tolylsulfanyl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-[(2-methylphenyl)thio]-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(2-methylphenyl)sulfanylacetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(o-tolylthio)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=CC=CC=C2C

InChI

InChI=1S/C18H18N2O4S2/c1-3-23-18(22)16-13(12(8-19)17(20)26-16)9-24-15(21)10-25-14-7-5-4-6-11(14)2/h4-7H,3,9-10,20H2,1-2H3