ethyl 3-[4,7-dimethoxy-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-(2-nitrophenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[4,7-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[(2-nitrophenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,7-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-(2-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=CC=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H21N3O7S/c1-4-31-17(25)11-12-23-18-15(29-2)9-10-16(30-3)19(18)32-21(23)22-20(26)13-7-5-6-8-14(13)24(27)28/h5-10H,4,11-12H2,1-3H3