(2S)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: (2S)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: (2S)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-2-(2-thienyl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: (2S)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: (2S)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-2-thiophen-2-yl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: (2S)-6-keto-4-mercapto-3-(4-methoxyphenyl)-2-(2-thienyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)N2[C@H](NC(=O)C(=C2S)C#N)C3=CC=CS3

InChI

InChI=1S/C16H13N3O2S2/c1-21-11-6-4-10(5-7-11)19-14(13-3-2-8-23-13)18-15(20)12(9-17)16(19)22/h2-8,14,22H,1H3,(H,18,20)/t14-/m0/s1