ethyl (4S)-4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-[4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(2-anilino-2-keto-ethoxy)-3-ethoxy-phenyl]-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=S)N1)C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)OCC)C(=O)OCC

InChI

InChI=1S/C26H31N3O5S/c1-4-10-19-23(25(31)33-6-3)24(29-26(35)28-19)17-13-14-20(21(15-17)32-5-2)34-16-22(30)27-18-11-8-7-9-12-18/h7-9,11-15,24H,4-6,10,16H2,1-3H3,(H,27,30)(H2,28,29,35)/t24-/m0/s1