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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(3-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(3-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(3-methyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(3-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-keto-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C22H18N4O3S3 MolecularWeight: 482.59832

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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)C4=CC=CC=C4)C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C

InChI

InChI=1S/C22H18N4O3S3/c1-3-29-21(28)17-15(13(9-23)18(24)32-17)11-31-22-25-19-16(20(27)26(22)2)14(10-30-19)12-7-5-4-6-8-12/h4-8,10H,3,11,24H2,1-2H3