ethyl 5-azanyl-4-cyano-3-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H14N4O3S3 MolecularWeight: 406.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CS3)C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C=CS3)C(=O)N2C

InChI

InChI=1S/C16H14N4O3S3/c1-3-23-15(22)11-10(9(6-17)12(18)26-11)7-25-16-19-13-8(4-5-24-13)14(21)20(16)2/h4-5H,3,7,18H2,1-2H3