methyl (4R,5R)-4-[5-(3-chlorophenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4R,5R)-4-[5-(3-chlorophenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5R)-4-[5-(3-chlorophenyl)-2-furyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-[5-(3-chlorophenyl)-2-furanyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-4-[5-(3-chlorophenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-[5-(3-chlorophenyl)-2-furyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H15ClN2O3S MolecularWeight: 362.8306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=CC=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)[C@@H]1[C@@H](NC(=S)NC1=C)C2=CC=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H15ClN2O3S/c1-9-14(16(21)22-2)15(20-17(24)19-9)13-7-6-12(23-13)10-4-3-5-11(18)8-10/h3-8,14-15H,1H2,2H3,(H2,19,20,24)/t14-,15-/m0/s1