ethyl 2-[6-ethoxy-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(5-nitrothiophen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(5-nitrothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)[N+](=O)[O-])S2)CC(=O)OCC

InChI

InChI=1S/C18H17N3O6S2/c1-3-26-11-5-6-12-14(9-11)29-18(20(12)10-16(22)27-4-2)19-17(23)13-7-8-15(28-13)21(24)25/h5-9H,3-4,10H2,1-2H3