methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H15N3O5S/c1-20(10-16-19-14-5-3-4-6-15(14)27-16)17(22)11-7-12(18(23)26-2)9-13(8-11)21(24)25/h3-9H,10H2,1-2H3