2-ethylsulfanylethyl (4S)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S)-4-[4-(diethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S)-4-[4-(diethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-[4-(diethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C20H29N3O2S2 MolecularWeight: 407.59316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCCSCC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCCSCC

InChI

InChI=1S/C20H29N3O2S2/c1-5-23(6-2)16-10-8-15(9-11-16)18-17(14(4)21-20(26)22-18)19(24)25-12-13-27-7-3/h8-11,18H,5-7,12-13H2,1-4H3,(H2,21,22,26)/t18-/m0/s1