methyl (4S)-4-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

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/h3-7,15H,1-2H3,(H2,19,20,27)/t15-/m1/s1