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

Systemtic Name: ethyl 2-[2-[2-(5-chloranylthiophen-2-yl)ethanoylimino]-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(5-chloro-2-thienyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(5-chloro-2-thiophenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(5-chlorothiophen-2-yl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(5-chloro-2-thienyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H14ClN3O5S2 MolecularWeight: 439.89316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H14ClN3O5S2/c1-2-26-16(23)9-20-12-7-10(21(24)25)3-5-13(12)28-17(20)19-15(22)8-11-4-6-14(18)27-11/h3-7H,2,8-9H2,1H3