ethyl 5-azanyl-4-cyano-3-[(phenylmethylsulfanyl)methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(phenylmethylsulfanyl)methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-(benzylsulfanylmethyl)-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(phenylmethylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(benzylsulfanylmethyl)-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(benzylthio)methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S2/c1-2-20-16(19)14-13(12(8-17)15(18)22-14)10-21-9-11-6-4-3-5-7-11/h3-7H,2,9-10,18H2,1H3