ethyl 2,4-dimethyl-5-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S2/c1-4-29-23(28)19-13(2)20(26-14(19)3)17(27)11-30-21-16-10-18(15-8-6-5-7-9-15)31-22(16)25-12-24-21/h5-10,12,26H,4,11H2,1-3H3