ethyl 3-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]propanoate

Systemtic Name: ethyl 3-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]propanoate Openeye Name: ethyl 3-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]propanoate CAS Name: 3-[[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]propanoate Traditional Name: 3-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]propionic acid ethyl ester Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O5S/c1-2-22-11(18)5-6-14-12(19)16-13-15-9-4-3-8(17(20)21)7-10(9)23-13/h3-4,7H,2,5-6H2,1H3,(H2,14,15,16,19)