1,3-benzothiazol-2-ylmethyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C18H19N3O4S2/c1-20-11-13(27(23,24)21-8-4-5-9-21)10-15(20)18(22)25-12-17-19-14-6-2-3-7-16(14)26-17/h2-3,6-7,10-11H,4-5,8-9,12H2,1H3