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

Systemtic Name: methyl 1-methyl-4-[2-(4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]pyrrole-2-carboxylate Openeye Name: methyl 4-[[2-(3-allyl-4-oxo-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[1-oxo-2-[(4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]ethyl]amino]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[[2-(4-oxo-6-phenyl-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]pyrrole-2-carboxylate Traditional Name: 4-[[2-[(3-allyl-4-keto-6-phenyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)SC(=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)SC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4S2/c1-4-10-28-22(30)21-17(12-19(34-21)15-8-6-5-7-9-15)26-24(28)33-14-20(29)25-16-11-18(23(31)32-3)27(2)13-16/h4-9,11-13H,1,10,14H2,2-3H3,(H,25,29)