ethyl (4S,5R)-4-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-[3-(5-methylfuran-2-yl)-1-phenyl-pyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5R,6S)-4-methylene-6-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-[3-(5-methyl-2-furanyl)-1-phenyl-4-pyrazolyl]-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-[3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CN(N=C2C3=CC=C(O3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-4-28-21(27)18-14(3)23-22(30)24-20(18)16-12-26(15-8-6-5-7-9-15)25-19(16)17-11-10-13(2)29-17/h5-12,18,20H,3-4H2,1-2H3,(H2,23,24,30)/t18-,20+/m0/s1