1,3-benzothiazol-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N2O6S/c1-3-25-15-8-11(13(20(22)23)9-14(15)24-2)18(21)26-10-17-19-12-6-4-5-7-16(12)27-17/h4-9H,3,10H2,1-2H3