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

Systemtic Name: 2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-isopropylphenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4-p-cumenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N2O3S/c1-18(2)19-11-13-20(14-12-19)28-22-8-4-5-9-25(22)32-29(24(28)16-31)36-17-26(33)23-15-21-7-3-6-10-27(21)35-30(23)34/h3,6-7,10-15,18H,4-5,8-9,17H2,1-2H3