2-[(5-chloranyl-1,3-benzothiazol-2-yl)-methyl-amino]ethyl 4-tert-butylbenzoate

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)-methyl-amino]ethyl 4-tert-butylbenzoate Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)-methyl-amino]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 2-[(5-chloro-1,3-benzothiazol-2-yl)-methylamino]ethyl ester IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)-methylamino]ethyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[(5-chloro-1,3-benzothiazol-2-yl)-methyl-amino]ethyl ester Formula: C21H23ClN2O2S MolecularWeight: 402.93752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN(C)C2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCN(C)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-21(2,3)15-7-5-14(6-8-15)19(25)26-12-11-24(4)20-23-17-13-16(22)9-10-18(17)27-20/h5-10,13H,11-12H2,1-4H3