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

Systemtic Name: methyl 4-[[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Openeye Name: methyl 4-[[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate CAS Name: 4-[[[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate Traditional Name: 4-[[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]carbamoyl]benzoic acid methyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O6S/c1-3-29-11-10-22-16-12-15(23(26)27)8-9-17(16)30-20(22)21-18(24)13-4-6-14(7-5-13)19(25)28-2/h4-9,12H,3,10-11H2,1-2H3