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

Systemtic Name: methyl 4-[(5,7-diethyl-2-oxidanylidene-4-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(5,7-diethyl-2-oxo-4-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate CAS Name: 4-[[5,7-diethyl-2-oxo-4-(phenylthio)-1,6-naphthyridin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,7-diethyl-2-oxo-4-phenylsulfanyl-1,6-naphthyridin-1-yl)methyl]benzoate Traditional Name: 4-[[5,7-diethyl-2-keto-4-(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(=C1)N(C(=O)C=C2SC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC)CC

Isomeric SMILES

CCC1=NC(=C2C(=C1)N(C(=O)C=C2SC3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)OC)CC

InChI

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