6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-ethyl-1-methyl-4-thiophen-2-yl-3,1-benzoxazin-2-one

Systemtic Name: 6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-ethyl-1-methyl-4-thiophen-2-yl-3,1-benzoxazin-2-one Openeye Name: 6-(3-chloro-4-fluoro-anilino)-4-ethyl-1-methyl-4-(2-thienyl)-3,1-benzoxazin-2-one CAS Name: 6-(3-chloro-4-fluoroanilino)-4-ethyl-1-methyl-4-thiophen-2-yl-3,1-benzoxazin-2-one IUPAC Name: 6-(3-chloro-4-fluoroanilino)-4-ethyl-1-methyl-4-thiophen-2-yl-3,1-benzoxazin-2-one Traditional Name: 6-(3-chloro-4-fluoro-anilino)-4-ethyl-1-methyl-4-(2-thienyl)-3,1-benzoxazin-2-one Formula: C21H18ClFN2O2S MolecularWeight: 416.896223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)NC3=CC(=C(C=C3)F)Cl)N(C(=O)O1)C)C4=CC=CS4

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)NC3=CC(=C(C=C3)F)Cl)N(C(=O)O1)C)C4=CC=CS4

InChI

InChI=1S/C21H18ClFN2O2S/c1-3-21(19-5-4-10-28-19)15-11-13(7-9-18(15)25(2)20(26)27-21)24-14-6-8-17(23)16(22)12-14/h4-12,24H,3H2,1-2H3