ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN(C)CC2=NC3=CC=CC=C3S2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN(C)CC2=NC3=CC=CC=C3S2)C)C

InChI

InChI=1S/C20H23N3O3S/c1-5-26-20(25)19-13(3)21-12(2)18(19)15(24)10-23(4)11-17-22-14-8-6-7-9-16(14)27-17/h6-9,21H,5,10-11H2,1-4H3