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

Systemtic Name: ethyl 3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate Openeye Name: ethyl 3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate CAS Name: 3-methyl-2-[[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate Traditional Name: 3-methyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyric acid ethyl ester Formula: C15H18N4O5S MolecularWeight: 366.39222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S/c1-4-24-13(20)12(8(2)3)17-14(21)18-15-16-10-6-5-9(19(22)23)7-11(10)25-15/h5-8,12H,4H2,1-3H3,(H2,16,17,18,21)