2-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(4-butoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-butoxycarbonylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[4-[butoxy(oxo)methyl]anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-butoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-butoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C17H18N3O4S- MolecularWeight: 360.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S/c1-2-3-10-24-16(23)12-4-6-13(7-5-12)19-15(22)11-25-17-18-9-8-14(21)20-17/h4-9H,2-3,10-11H2,1H3,(H,19,22)(H,18,20,21)/p-1