2-[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino]ethyl benzoate

Systemtic Name: 2-[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino]ethyl benzoate Openeye Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino]ethyl benzoate CAS Name: benzoic acid 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino]ethyl ester IUPAC Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino]ethyl benzoate Traditional Name: benzoic acid 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino]ethyl ester Formula: C31H35ClN2O5S MolecularWeight: 583.138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)CCOC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)CCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H35ClN2O5S/c1-21(2)33(16-18-39-31(36)23-9-6-5-7-10-23)15-8-17-38-28-14-12-25(37-4)20-26(28)30-34(22(3)35)27-13-11-24(32)19-29(27)40-30/h5-7,9-14,19-21,30H,8,15-18H2,1-4H3