1-[(4S)-4-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[(4S)-4-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Openeye Name: 1-[(4S)-4-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone CAS Name: 1-[(4S)-4-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone IUPAC Name: 1-[(4S)-4-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Traditional Name: 1-[(4S)-4-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]ethanone Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)C)Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)C)Cl)OCC#C

InChI

InChI=1S/C18H19ClN2O3S/c1-5-7-24-17-13(19)8-12(9-14(17)23-6-2)16-15(11(4)22)10(3)20-18(25)21-16/h1,8-9,16H,6-7H2,2-4H3,(H2,20,21,25)/t16-/m0/s1