2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Openeye Name: 2-[2-(3-butoxycarbonylanilino)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate CAS Name: 2-[[2-[3-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate IUPAC Name: 2-[2-(3-butoxycarbonylanilino)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Traditional Name: 2-[[2-(3-butoxycarbonylanilino)-2-keto-ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Formula: C20H22N3O4S- MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(CCC3)C(=N2)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(CCC3)C(=N2)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-10-27-19(26)13-6-4-7-14(11-13)21-17(24)12-28-20-22-16-9-5-8-15(16)18(25)23-20/h4,6-7,11H,2-3,5,8-10,12H2,1H3,(H,21,24)(H,22,23,25)/p-1