(3-azanyl-3-oxidanylidene-propyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: (3-amino-3-oxo-propyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid (3-amino-3-keto-propyl) ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCCC(=O)N

Isomeric SMILES

C1CCC(C1)(CC2=NC3=CC=CC=C3S2)C(=O)OCCC(=O)N

InChI

InChI=1S/C17H20N2O3S/c18-14(20)7-10-22-16(21)17(8-3-4-9-17)11-15-19-12-5-1-2-6-13(12)23-15/h1-2,5-6H,3-4,7-11H2,(H2,18,20)