ethyl 4-aminocarbonyl-2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Openeye Name: ethyl 4-carbamoyl-2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate CAS Name: 4-carbamoyl-2-methyl-5-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-2-methyl-5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]furan-3-carboxylate Traditional Name: 4-carbamoyl-2-methyl-5-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]furan-3-carboxylic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)SC2=NC=NC(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C(=O)OCC)C(=O)N)SC2=NC=NC(=C2)C

InChI

InChI=1S/C18H22N4O5S/c1-5-11(28-12-7-9(3)20-8-21-12)16(24)22-17-14(15(19)23)13(10(4)27-17)18(25)26-6-2/h7-8,11H,5-6H2,1-4H3,(H2,19,23)(H,22,24)