4-(3-methylthiophen-2-yl)-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(3-methylthiophen-2-yl)-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(3-methyl-2-thienyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(3-methyl-2-thiophenyl)-2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(3-methylthiophen-2-yl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4-(3-methyl-2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H20N2O3S2 MolecularWeight: 472.5786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC5=CC=CC=C5OC4=O)C#N

Isomeric SMILES

CC1=C(SC=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)C4=CC5=CC=CC=C5OC4=O)C#N

InChI

InChI=1S/C26H20N2O3S2/c1-15-10-11-32-24(15)23-17-7-3-4-8-20(17)28-25(19(23)13-27)33-14-21(29)18-12-16-6-2-5-9-22(16)31-26(18)30/h2,5-6,9-12H,3-4,7-8,14H2,1H3