(2S)-4-(2-phenylsulfanylpyridin-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(2-phenylsulfanylpyridin-3-yl)carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(2-phenylsulfanylpyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(2-phenylsulfanylpyridine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[2-(phenylthio)nicotinoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H17N3O3S MolecularWeight: 391.44298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2N1C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H17N3O3S/c22-19(25)18-13-24(16-10-4-5-11-17(16)27-18)21(26)15-9-6-12-23-20(15)28-14-7-2-1-3-8-14/h1-12,18H,13H2,(H2,22,25)/t18-/m0/s1