2-[2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-[2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-4,5-dimethoxy-benzoic acid Openeye Name: 2-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethoxy-benzoic acid CAS Name: 2-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid IUPAC Name: 2-[[2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-4,5-dimethoxybenzoic acid Traditional Name: 2-[[2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)C

InChI

InChI=1S/C18H21N3O6S/c1-5-10-9(2)19-18(21-16(10)23)28-8-15(22)20-12-7-14(27-4)13(26-3)6-11(12)17(24)25/h6-7H,5,8H2,1-4H3,(H,20,22)(H,24,25)(H,19,21,23)