2-[2,4-bis(oxidanylidene)-4-thiophen-2-yl-butyl]sulfanyl-4-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2,4-bis(oxidanylidene)-4-thiophen-2-yl-butyl]sulfanyl-4-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[2,4-dioxo-4-(2-thienyl)butyl]sulfanyl-4-isopropoxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2,4-dioxo-4-thiophen-2-ylbutyl)thio]-4-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2,4-dioxo-4-thiophen-2-ylbutyl)sulfanyl-4-propan-2-yloxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[[2,4-diketo-4-(2-thienyl)butyl]thio]-4-isopropoxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=NC2=C1CCCC2)SCC(=O)CC(=O)C3=CC=CS3)C#N

Isomeric SMILES

CC(C)OC1=C(C(=NC2=C1CCCC2)SCC(=O)CC(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C21H22N2O3S2/c1-13(2)26-20-15-6-3-4-7-17(15)23-21(16(20)11-22)28-12-14(24)10-18(25)19-8-5-9-27-19/h5,8-9,13H,3-4,6-7,10,12H2,1-2H3