methyl (4R,5R,6S)-3-methyl-4-oxidanyl-6-phenyl-2-sulfanylidene-5-thiophen-2-ylcarbonyl-1,3-diazinane-4-carboxylate

Systemtic Name: methyl (4R,5R,6S)-3-methyl-4-oxidanyl-6-phenyl-2-sulfanylidene-5-thiophen-2-ylcarbonyl-1,3-diazinane-4-carboxylate Openeye Name: methyl (4R,5R,6S)-4-hydroxy-3-methyl-6-phenyl-5-(thiophene-2-carbonyl)-2-thioxo-hexahydropyrimidine-4-carboxylate CAS Name: (4R,5R,6S)-4-hydroxy-3-methyl-5-[oxo(thiophen-2-yl)methyl]-6-phenyl-2-sulfanylidene-1,3-diazinane-4-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R,6S)-4-hydroxy-3-methyl-6-phenyl-2-sulfanylidene-5-(thiophene-2-carbonyl)-1,3-diazinane-4-carboxylate Traditional Name: (4R,5R,6S)-4-hydroxy-3-methyl-6-phenyl-5-(2-thenoyl)-2-thioxo-hexahydropyrimidine-4-carboxylic acid methyl ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)NC(C(C1(C(=O)OC)O)C(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N[C@@H]([C@H]([C@]1(C(=O)OC)O)C(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S2/c1-20-17(25)19-14(11-7-4-3-5-8-11)13(18(20,23)16(22)24-2)15(21)12-9-6-10-26-12/h3-10,13-14,23H,1-2H3,(H,19,25)/t13-,14+,18+/m0/s1