2-[5-(pyrrolidin-2-ylcarbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[5-(pyrrolidin-2-ylcarbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[5-(pyrrolidine-2-carbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[1-oxo-5-[[oxo(2-pyrrolidinyl)methyl]amino]pentyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[5-(pyrrolidine-2-carbonylamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[5-(prolylamino)pentanoyl]-1,3-benzothiazole-6-carboxylic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NCCCCC(=O)C2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(NC1)C(=O)NCCCCC(=O)C2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C18H21N3O4S/c22-14(5-1-2-8-20-16(23)13-4-3-9-19-13)17-21-12-7-6-11(18(24)25)10-15(12)26-17/h6-7,10,13,19H,1-5,8-9H2,(H,20,23)(H,24,25)