1-(3-nitrophenyl)ethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentanecarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclopentanecarboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2(CCCC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O4S/c1-15(16-7-6-8-17(13-16)24(26)27)28-21(25)22(11-4-5-12-22)14-20-23-18-9-2-3-10-19(18)29-20/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3