methyl 4-[(5,7-diethyl-2-oxidanylidene-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(5,7-diethyl-2-oxidanylidene-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(5,7-diethyl-2-oxo-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate CAS Name: 4-[[5,7-diethyl-2-oxo-3-(phenylthio)-1,6-naphthyridin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,7-diethyl-2-oxo-3-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate Traditional Name: 4-[[5,7-diethyl-2-keto-3-(phenylthio)-1,6-naphthyridin-1-yl]methyl]benzoic acid methyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)C(=O)OC)SC4=CC=CC=C4)CC

Isomeric SMILES

CCC1=NC(=C2C=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)C(=O)OC)SC4=CC=CC=C4)CC

InChI

InChI=1S/C27H26N2O3S/c1-4-20-15-24-22(23(5-2)28-20)16-25(33-21-9-7-6-8-10-21)26(30)29(24)17-18-11-13-19(14-12-18)27(31)32-3/h6-16H,4-5,17H2,1-3H3