(2S)-4-ethanoyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-ethanoyl-N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)N(C)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H23N3O4S/c1-14(25)24-12-18(28-17-10-6-5-9-16(17)24)21(27)23(2)13-20(26)22-15-8-4-7-11-19(15)29-3/h4-11,18H,12-13H2,1-3H3,(H,22,26)/t18-/m0/s1