2-(2-methylphenyl)ethyl 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: 2-(2-methylphenyl)ethyl 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: 2-(o-tolyl)ethyl 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylic acid 2-(2-methylphenyl)ethyl ester IUPAC Name: 2-(2-methylphenyl)ethyl 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylic acid 2-(o-tolyl)ethyl ester Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCOC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CCOC(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2S/c1-16-5-2-3-6-17(16)9-14-28-22(27)26-11-4-10-25(12-13-26)21-24-19-8-7-18(23)15-20(19)29-21/h2-3,5-8,15H,4,9-14H2,1H3