[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl (3S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate CAS Name: (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl (3S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Traditional Name: (3S,7aS)-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylic acid [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)C2CSC3(N2C(=O)CC3)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)[C@H]2CS[C@@]3(N2C(=O)CC3)C)C(=O)OCC

InChI

InChI=1S/C18H25N3O6S/c1-4-10-14(16(24)26-5-2)11(20-17(25)19-10)8-27-15(23)12-9-28-18(3)7-6-13(22)21(12)18/h10,12H,4-9H2,1-3H3,(H2,19,20,25)/t10-,12+,18-/m0/s1