[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC(=O)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC(=O)NCCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-20-9-11(21(24)25)8-13(20)17(23)26-10-15(22)18-7-6-16-19-12-4-2-3-5-14(12)27-16/h2-5,8-9H,6-7,10H2,1H3,(H,18,22)