methyl 4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-ethoxy-2-oxidanylidene-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-ethoxy-2-oxo-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-ethoxy-2-oxoethyl)-5-nitro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-ethoxy-2-oxoethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-ethoxy-2-keto-ethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H17N3O7S/c1-3-30-17(24)11-22-15-10-14(23(27)28)8-9-16(15)31-20(22)21-18(25)12-4-6-13(7-5-12)19(26)29-2/h4-10H,3,11H2,1-2H3