ethyl 4-methylsulfanyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate

Systemtic Name: ethyl 4-methylsulfanyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate Openeye Name: ethyl 4-methylsulfanyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate CAS Name: 4-(methylthio)-2-[[[(6-nitro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butanoate Traditional Name: 4-(methylthio)-2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoylamino]butyric acid ethyl ester Formula: C15H18N4O5S2 MolecularWeight: 398.45722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S2/c1-3-24-13(20)11(6-7-25-2)16-14(21)18-15-17-10-5-4-9(19(22)23)8-12(10)26-15/h4-5,8,11H,3,6-7H2,1-2H3,(H2,16,17,18,21)