ethyl 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate Openeye Name: ethyl 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate Traditional Name: 4-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C18H21N3O4S/c1-4-14(26-18-19-11(3)10-15(22)21-18)16(23)20-13-8-6-12(7-9-13)17(24)25-5-2/h6-10,14H,4-5H2,1-3H3,(H,20,23)(H,19,21,22)