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

Systemtic Name: 2-[2-oxidanylidene-2-[(4-pentoxycarbonylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-[oxo(pentoxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-pentoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-amoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C18H20N3O4S- MolecularWeight: 374.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-2-3-4-11-25-17(24)13-5-7-14(8-6-13)20-16(23)12-26-18-19-10-9-15(22)21-18/h5-10H,2-4,11-12H2,1H3,(H,20,23)(H,19,21,22)/p-1