ethyl 3-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(5,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(5,6-dimethoxy-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H17N3O7S MolecularWeight: 431.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC(=C(C=C3S2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O7S/c1-4-29-18(24)11-5-10(6-12(7-11)22(25)26)17(23)21-19-20-13-8-14(27-2)15(28-3)9-16(13)30-19/h5-9H,4H2,1-3H3,(H,20,21,23)