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

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[[3-ethoxycarbonyl-4-(2-thienyl)-2-thienyl]amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-4-thiophen-2-yl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-4-thiophen-2-ylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[[3-carbethoxy-4-(2-thienyl)-2-thienyl]amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C20H20N3O4S3- MolecularWeight: 462.5855

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC)[O-]

InChI

InChI=1S/C20H21N3O4S3/c1-3-6-12-9-15(24)23-20(21-12)30-11-16(25)22-18-17(19(26)27-4-2)13(10-29-18)14-7-5-8-28-14/h5,7-10H,3-4,6,11H2,1-2H3,(H,22,25)(H,21,23,24)/p-1