methyl 3-nitro-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid methyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O5S/c1-24-15(21)10-6-9(7-11(8-10)19(22)23)14(20)18-16-17-12-4-2-3-5-13(12)25-16/h6-8H,2-5H2,1H3,(H,17,18,20)