ethyl 3-[2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 3-[[2-[(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid ethyl ester Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN(C)S(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C20H20ClN3O7S/c1-3-30-20(27)12-5-4-6-13(7-12)22-18(25)10-24(2)32(28,29)17-9-16-15(8-14(17)21)23-19(26)11-31-16/h4-9H,3,10-11H2,1-2H3,(H,22,25)(H,23,26)