(cyclododecylideneamino) 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: (cyclododecylideneamino) 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (cyclododecylideneamino) 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (cyclododecylideneamino) ester IUPAC Name: (cyclododecylideneamino) 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (cyclododecylideneamino) ester Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NOC(=O)C2=C(C3=CC=CC=C3S2)Cl)CCCCC1

Isomeric SMILES

C1CCCCCC(=NOC(=O)C2=C(C3=CC=CC=C3S2)Cl)CCCCC1

InChI

InChI=1S/C21H26ClNO2S/c22-19-17-14-10-11-15-18(17)26-20(19)21(24)25-23-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-15H,1-9,12-13H2