2-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-[(3-ethoxycarbonyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-carbethoxy-5-phenyl-2-thienyl)amino]-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C19H16N3O4S2- MolecularWeight: 414.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4S2/c1-2-26-18(25)13-10-14(12-6-4-3-5-7-12)28-17(13)21-16(24)11-27-19-20-9-8-15(23)22-19/h3-10H,2,11H2,1H3,(H,21,24)(H,20,22,23)/p-1