phenyl 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanesulfonate

Systemtic Name: phenyl 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanesulfonate Openeye Name: phenyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanesulfonate CAS Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanesulfonate Traditional Name: 2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]ethanesulfonic acid phenyl ester Formula: C15H18N2O4S2 MolecularWeight: 354.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCS(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCS(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O4S2/c1-2-6-12-11-14(18)17-15(16-12)22-9-10-23(19,20)21-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,17,18)