tert-butyl 2-[2-(ethylcarbamoylamino)-6-nitro-1,3-benzothiazol-7-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-(ethylcarbamoylamino)-6-nitro-1,3-benzothiazol-7-yl]ethanoate Openeye Name: tert-butyl 2-[2-(ethylcarbamoylamino)-6-nitro-1,3-benzothiazol-7-yl]acetate CAS Name: 2-[2-(ethylcarbamoylamino)-6-nitro-1,3-benzothiazol-7-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(ethylcarbamoylamino)-6-nitro-1,3-benzothiazol-7-yl]acetate Traditional Name: 2-[2-(ethylcarbamoylamino)-6-nitro-1,3-benzothiazol-7-yl]acetic acid tert-butyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])CC(=O)OC(C)(C)C

Isomeric SMILES

CCNC(=O)NC1=NC2=C(S1)C(=C(C=C2)[N+](=O)[O-])CC(=O)OC(C)(C)C

InChI

InChI=1S/C16H20N4O5S/c1-5-17-14(22)19-15-18-10-6-7-11(20(23)24)9(13(10)26-15)8-12(21)25-16(2,3)4/h6-7H,5,8H2,1-4H3,(H2,17,18,19,22)