methyl 4-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 4-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 4-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 4-[[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 4-[(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C18H15N3O5S/c1-3-20-14-9-8-13(21(24)25)10-15(14)27-18(20)19-16(22)11-4-6-12(7-5-11)17(23)26-2/h4-10H,3H2,1-2H3