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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(2-methylphenyl)methylsulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(o-tolylmethylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2-methylphenyl)methylthio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(2-methylphenyl)methylsulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2-methylbenzyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSCC2=CC=CC=C2C

InChI

InChI=1S/C17H18N2O2S2/c1-3-21-17(20)15-14(13(8-18)16(19)23-15)10-22-9-12-7-5-4-6-11(12)2/h4-7H,3,9-10,19H2,1-2H3