N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C21H21N3O4S/c1-12-20(26)23-17-9-14(6-7-18(17)28-12)22-21(27)13-8-19(25)24(11-13)15-4-3-5-16(10-15)29-2/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,22,27)(H,23,26)