ethyl 4-aminocarbonyl-2-methyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]furan-3-carboxylate Openeye Name: ethyl 5-[[2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4-carbamoyl-2-methyl-furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]ethyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[[2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]furan-3-carboxylate Traditional Name: 5-[[2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]-4-carbamoyl-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)SC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C(=O)N)NC(=O)CSC2=NC3=C(C(=O)N2CC=C)SC=C3)C

InChI

InChI=1S/C20H20N4O6S2/c1-4-7-24-18(27)15-11(6-8-31-15)22-20(24)32-9-12(25)23-17-14(16(21)26)13(10(3)30-17)19(28)29-5-2/h4,6,8H,1,5,7,9H2,2-3H3,(H2,21,26)(H,23,25)