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

Systemtic Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamoylamino] ester Formula: C22H15ClN4O6S MolecularWeight: 498.8957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O6S/c1-32-19-9-6-12(10-17(19)27(30)31)21(28)34-26-22(29)24-13-7-8-15(23)14(11-13)20-25-16-4-2-3-5-18(16)33-20/h2-11H,1H3,(H2,24,26,29)