ethyl 3-ethyl-6-[3-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-6-[3-[(5-methoxy-5-oxidanylidene-pentanoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-[3-[(5-methoxy-5-oxo-pentanoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[3-[(5-methoxy-1,5-dioxopentyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-[3-[(5-methoxy-5-oxopentanoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[3-[(5-keto-5-methoxy-pentanoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CCCC(=O)OC)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)CCCC(=O)OC)C(=O)OCC)C

InChI

InChI=1S/C22H29N3O5S/c1-5-25-14(3)19(21(28)30-6-2)20(24-22(25)31)15-9-7-10-16(13-15)23-17(26)11-8-12-18(27)29-4/h7,9-10,13,20H,5-6,8,11-12H2,1-4H3,(H,23,26)(H,24,31)