2-methoxyethyl 6-[4-(decanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-[4-(decanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-[4-(decanoylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-(1-oxodecylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-[4-(decanoylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(caprylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C27H41N3O4S MolecularWeight: 503.69714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCCOC

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OCCOC

InChI

InChI=1S/C27H41N3O4S/c1-5-7-8-9-10-11-12-13-23(31)28-22-16-14-21(15-17-22)25-24(26(32)34-19-18-33-4)20(3)30(6-2)27(35)29-25/h14-17,25H,5-13,18-19H2,1-4H3,(H,28,31)(H,29,35)