2-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(3-carbethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C19H22N3O4S2- MolecularWeight: 420.52568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)[O-]

InChI

InChI=1S/C19H23N3O4S2/c1-3-6-11-9-14(23)22-19(20-11)27-10-15(24)21-17-16(18(25)26-4-2)12-7-5-8-13(12)28-17/h9H,3-8,10H2,1-2H3,(H,21,24)(H,20,22,23)/p-1