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

Systemtic Name: ethyl 2-[6-acetamido-2-(3,5-dinitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(3,5-dinitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[(3,5-dinitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(3,5-dinitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(3,5-dinitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N5O8S MolecularWeight: 487.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O8S/c1-3-33-18(27)10-23-16-5-4-13(21-11(2)26)8-17(16)34-20(23)22-19(28)12-6-14(24(29)30)9-15(7-12)25(31)32/h4-9H,3,10H2,1-2H3,(H,21,26)