(2S)-2-(4-ethoxy-3-methoxy-phenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2S)-2-(4-ethoxy-3-methoxy-phenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-2-(4-ethoxy-3-methoxy-phenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-2-(4-ethoxy-3-methoxyphenyl)-4-mercapto-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-2-(4-ethoxy-3-methoxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-2-(4-ethoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H]2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC

InChI

InChI=1S/C20H19N3O3S/c1-3-26-16-10-9-13(11-17(16)25-2)18-22-19(24)15(12-21)20(27)23(18)14-7-5-4-6-8-14/h4-11,18,27H,3H2,1-2H3,(H,22,24)/t18-/m0/s1