2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]ethanamide

Systemtic Name: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]ethanamide Openeye Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]acetamide CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-[(3,4-dimethylphenyl)thio]ethyl]acetamide IUPAC Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]acetamide Traditional Name: 2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)-N-[2-[(3,4-dimethylphenyl)thio]ethyl]acetamide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)CN2C(=O)COC3=C2C=C(C=C3)Cl)C

InChI

InChI=1S/C20H21ClN2O3S/c1-13-3-5-16(9-14(13)2)27-8-7-22-19(24)11-23-17-10-15(21)4-6-18(17)26-12-20(23)25/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,24)