ethyl 2-[2-(5-chloranylthiophen-2-yl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(5-chloranylthiophen-2-yl)carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-chlorothiophene-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-chlorothiophene-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-chlorothiophene-2-carbonyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H12ClN3O5S2 MolecularWeight: 425.86658

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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(S3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H12ClN3O5S2/c1-2-25-14(21)8-19-10-7-9(20(23)24)3-4-11(10)27-16(19)18-15(22)12-5-6-13(17)26-12/h3-7H,2,8H2,1H3