methyl 4-[[6-methyl-5-[(2-methylsulfanylethanoylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]carbonyl]benzoate

Systemtic Name: methyl 4-[[6-methyl-5-[(2-methylsulfanylethanoylamino)methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]carbonyl]benzoate Openeye Name: methyl 4-[6-methyl-5-[[(2-methylsulfanylacetyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzoate CAS Name: 4-[[6-methyl-5-[[[2-(methylthio)-1-oxoethyl]amino]methyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-methyl-5-[[(2-methylsulfanylacetyl)amino]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzoate Traditional Name: 4-[6-methyl-5-[[[2-(methylthio)acetyl]amino]methyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carbonyl]benzoic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2CN(CCC2=C1CNC(=O)CSC)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=NC=C2CN(CCC2=C1CNC(=O)CSC)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O4S/c1-14-19(11-24-20(26)13-30-3)18-8-9-25(12-17(18)10-23-14)21(27)15-4-6-16(7-5-15)22(28)29-2/h4-7,10H,8-9,11-13H2,1-3H3,(H,24,26)