prop-2-ynyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate

Systemtic Name: prop-2-ynyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate Openeye Name: prop-2-ynyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-(6-nitro-1,3-benzothiazol-2-yl)carbamate Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)carbamic acid propargyl ester Formula: C11H7N3O4S MolecularWeight: 277.25598

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C#CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H7N3O4S/c1-2-5-18-11(15)13-10-12-8-4-3-7(14(16)17)6-9(8)19-10/h1,3-4,6H,5H2,(H,12,13,15)