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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

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