(3S)-6-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile

Systemtic Name: (3S)-6-[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4,4-dimethyl-2-oxidanylidene-1,3-dihydropyridine-3,5-dicarbonitrile Openeye Name: (3S)-6-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile CAS Name: (3S)-6-[[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]thio]-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile IUPAC Name: (3S)-6-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4,4-dimethyl-2-oxo-1,3-dihydropyridine-3,5-dicarbonitrile Traditional Name: (3S)-6-[[2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl]thio]-2-keto-4,4-dimethyl-1,3-dihydropyridine-3,5-dicarbonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=C(C(C(C(=O)N3)C#N)(C)C)C#N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)CSC3=C(C([C@H](C(=O)N3)C#N)(C)C)C#N

InChI

InChI=1S/C21H20N4O2S/c1-4-12-6-5-7-13-14(10-24-18(12)13)17(26)11-28-20-16(9-23)21(2,3)15(8-22)19(27)25-20/h5-7,10,15,24H,4,11H2,1-3H3,(H,25,27)/t15-/m0/s1