1,3-benzothiazol-2-ylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O5S/c1-25-9-8-19-14-7-6-12(21(23)24)10-13(14)18(22)26-11-17-20-15-4-2-3-5-16(15)27-17/h2-7,10,19H,8-9,11H2,1H3