methyl 2-[(4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4S)-4-(4-hexoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4S)-4-(4-hexoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4S)-4-(4-hexoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid methyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)C(=O)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)C(=O)OC

InChI

InChI=1S/C20H26N2O4S/c1-4-5-6-7-12-26-15-10-8-14(9-11-15)17-16(18(23)19(24)25-3)13(2)21-20(27)22-17/h8-11,17H,4-7,12H2,1-3H3,(H2,21,22,27)/t17-/m0/s1