ethyl 1-[2-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[1,3-benzothiazol-2-yl(tetrahydrofuran-2-ylmethyl)amino]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[1,3-benzothiazol-2-yl(2-oxolanylmethyl)amino]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-[1,3-benzothiazol-2-yl(tetrahydrofurfuryl)amino]-2-keto-ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H27N3O4S/c1-4-29-22(28)18-12-15(2)25(16(18)3)14-21(27)26(13-17-8-7-11-30-17)23-24-19-9-5-6-10-20(19)31-23/h5-6,9-10,12,17H,4,7-8,11,13-14H2,1-3H3