1-methyl-3-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-methyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-methyl-3-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-methyl-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

Isomeric SMILES

CC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=CC4=CC=CC=C4OC3=O)C#N

InChI

InChI=1S/C22H18N2O3S/c1-13-15-7-3-4-8-16(15)18(11-23)21(24-13)28-12-19(25)17-10-14-6-2-5-9-20(14)27-22(17)26/h2,5-6,9-10H,3-4,7-8,12H2,1H3