methyl 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5S2/c1-25-16(22)10-2-4-11(5-3-10)18-15(21)9-26-17-19-13-7-6-12(20(23)24)8-14(13)27-17/h2-8H,9H2,1H3,(H,18,21)