ethyl 2-[4,6-dimethyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,6-dimethyl-2-(3-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,6-dimethyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-[(3-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,6-dimethyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-(3-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H19N3O5S/c1-4-28-17(24)11-22-18-13(3)8-12(2)9-16(18)29-20(22)21-19(25)14-6-5-7-15(10-14)23(26)27/h5-10H,4,11H2,1-3H3