S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate

Systemtic Name: S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-oxomethyl]amino] ester IUPAC Name: S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamoylamino] ester Formula: C22H15FN4O6S MolecularWeight: 482.441103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H15FN4O6S/c1-32-19-8-4-13(10-17(19)27(30)31)21(28)34-26-22(29)24-15-7-9-18-16(11-15)25-20(33-18)12-2-5-14(23)6-3-12/h2-11H,1H3,(H2,24,26,29)