methyl 1-methyl-4-[2-(3-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-4-[2-(3-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-4-[[2-(3-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[2-[(3-methyl-4-oxo-6-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[[2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]pyrrole-2-carboxylate Traditional Name: 4-[[2-[(4-keto-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC(=O)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C

InChI

InChI=1S/C22H20N4O4S2/c1-25-11-14(9-16(25)21(29)30-3)23-18(27)12-31-22-24-19-15(20(28)26(22)2)10-17(32-19)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,23,27)