1-[2-(1,3-benzothiazol-2-yl)ethyl]pyrrole-2-carboxylate

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]pyrrole-2-carboxylate Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]pyrrole-2-carboxylate CAS Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]-2-pyrrolecarboxylate IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]pyrrole-2-carboxylate Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)ethyl]pyrrole-2-carboxylate Formula: C14H11N2O2S- MolecularWeight: 271.31434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCN3C=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCN3C=CC=C3C(=O)[O-]

InChI

InChI=1S/C14H12N2O2S/c17-14(18)11-5-3-8-16(11)9-7-13-15-10-4-1-2-6-12(10)19-13/h1-6,8H,7,9H2,(H,17,18)/p-1