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

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H18N3O4S2- MolecularWeight: 428.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=CC(=N3)[O-])C

InChI

InChI=1S/C20H19N3O4S2/c1-3-27-19(26)17-14(13-7-5-4-6-8-13)10-28-18(17)22-16(25)11-29-20-21-12(2)9-15(24)23-20/h4-10H,3,11H2,1-2H3,(H,22,25)(H,21,23,24)/p-1