[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-methylcyclopropane-1-carboxylate Openeye Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-methylcyclopropanecarboxylate CAS Name: 2-methyl-1-cyclopropanecarboxylic acid [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate Traditional Name: 2-methylcyclopropanecarboxylic acid [2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CC1C(=O)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-7-4-9(7)13(19)22-6-12(18)16-14-15-10-3-2-8(17(20)21)5-11(10)23-14/h2-3,5,7,9H,4,6H2,1H3,(H,15,16,18)