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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-methoxyphenyl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-methoxyphenyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-methoxyphenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-methoxyphenyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-methoxyphenyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S2/c1-3-21-16(19)14-13(12(8-17)15(18)23-14)9-22-11-6-4-10(20-2)5-7-11/h4-7H,3,9,18H2,1-2H3