[(E)-4-phenylmethoxybut-2-enyl] 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: [(E)-4-phenylmethoxybut-2-enyl] 4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: [(E)-4-benzyloxybut-2-enyl] 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 [(E)-4-phenylmethoxybut-2-enyl] ester IUPAC Name: [(E)-4-phenylmethoxybut-2-enyl] 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 [(E)-4-benzoxybut-2-enyl] ester Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC=CCOCC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)OC/C=C/COCC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN3O3S/c25-20-9-10-21-22(17-20)32-23(26-21)27-11-6-12-28(14-13-27)24(29)31-16-5-4-15-30-18-19-7-2-1-3-8-19/h1-5,7-10,17H,6,11-16,18H2/b5-4+