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

Systemtic Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate Openeye Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamoylamino] 4-methoxy-3-nitro-benzenecarbothioate CAS Name: 4-methoxy-3-nitrobenzenecarbothioic acid S-[[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-oxomethyl]amino] ester IUPAC Name: S-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamoylamino] 4-methoxy-3-nitrobenzenecarbothioate Traditional Name: 4-methoxy-3-nitro-thiobenzoic acid S-[[5-(1,3-benzoxazol-2-yl)-2-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=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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