2-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C21H20N3O4S2- MolecularWeight: 442.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S2/c1-4-28-20(27)18-12(2)13(3)30-19(18)23-17(26)11-29-21-22-15(10-16(25)24-21)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,23,26)(H,22,24,25)/p-1