N-methyl-4-(2-methylsulfanylpyridin-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-methyl-4-(2-methylsulfanylpyridin-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-methyl-4-(2-methylsulfanylpyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-methyl-4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-methyl-4-(2-methylsulfanylpyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-methyl-4-[2-(methylthio)nicotinoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C17H17N3O3S/c1-18-15(21)14-10-20(12-7-3-4-8-13(12)23-14)17(22)11-6-5-9-19-16(11)24-2/h3-9,14H,10H2,1-2H3,(H,18,21)