6-[2-(3-chloranyl-4-methyl-phenyl)imino-3-prop-2-enyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(3-chloranyl-4-methyl-phenyl)imino-3-prop-2-enyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-allyl-2-(3-chloro-4-methyl-phenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(3-chloro-4-methylphenyl)imino-3-prop-2-enyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-chloro-4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-allyl-2-(3-chloro-4-methyl-phenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CC=C)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-3-8-25-18(14-5-7-19-17(9-14)24-20(26)11-27-19)12-28-21(25)23-15-6-4-13(2)16(22)10-15/h3-7,9-10,12H,1,8,11H2,2H3,(H,24,26)