ethyl 1-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzothiazol-2-ylmethoxy)-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-(1,3-benzothiazol-2-ylmethoxy)-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)OCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H20N2O4S/c1-4-24-19(23)14-9-12(2)21(13(14)3)10-18(22)25-11-17-20-15-7-5-6-8-16(15)26-17/h5-9H,4,10-11H2,1-3H3