methyl 2-[[3-cyano-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[3-cyano-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-4-(5-methyl-2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(5-methyl-2-furanyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(5-methyl-2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC)C#N

Isomeric SMILES

CC1=CC=C(O1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC)C#N

InChI

InChI=1S/C18H18N2O3S/c1-11-7-8-15(23-11)17-12-5-3-4-6-14(12)20-18(13(17)9-19)24-10-16(21)22-2/h7-8H,3-6,10H2,1-2H3