diethyl 3-methyl-5-[2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H25N3O5S3 MolecularWeight: 555.6888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=NC3=C2C(=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S3/c1-5-33-25(31)18-14(3)21(26(32)34-6-2)37-24(18)29-17(30)12-35-22-20-19(16-10-8-7-9-11-16)15(4)36-23(20)28-13-27-22/h7-11,13H,5-6,12H2,1-4H3,(H,29,30)