ethyl 2-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C(=C(N2)C)C

InChI

InChI=1S/C17H19N3O4S/c1-4-24-16(23)12-7-5-6-8-13(12)19-14(21)9-25-17-18-11(3)10(2)15(22)20-17/h5-8H,4,9H2,1-3H3,(H,19,21)(H,18,20,22)