ethyl 2-(2-cyclopropylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-cyclopropylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[2-(cyclopropanecarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[cyclopropyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(cyclopropanecarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(cyclopropanecarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3CC3

InChI

InChI=1S/C15H15N3O5S/c1-2-23-13(19)8-17-11-6-5-10(18(21)22)7-12(11)24-15(17)16-14(20)9-3-4-9/h5-7,9H,2-4,8H2,1H3