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

Systemtic Name: methyl (4R,5S)-4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-[5-(4-chloro-2-nitrophenyl)-2-furanyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-[5-(4-chloro-2-nitro-phenyl)-2-furyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O5S/c1-8-14(16(22)25-2)15(20-17(27)19-8)13-6-5-12(26-13)10-4-3-9(18)7-11(10)21(23)24/h3-7,14-15H,1H2,2H3,(H2,19,20,27)/t14-,15+/m1/s1