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

Systemtic Name: ethyl 4-methyl-2-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=CS4)C(=O)N3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=CS4)C(=O)N3C

InChI

InChI=1S/C23H21N3O4S3/c1-4-30-22(29)17-13(2)18(14-8-6-5-7-9-14)33-20(17)24-16(27)12-32-23-25-19-15(10-11-31-19)21(28)26(23)3/h5-11H,4,12H2,1-3H3,(H,24,27)