ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC(=O)OCC

InChI

InChI=1S/C26H31N3O6S2/c1-3-34-20-11-14-22-23(17-20)36-26(29(22)18-24(30)35-4-2)27-25(31)19-9-12-21(13-10-19)37(32,33)28-15-7-5-6-8-16-28/h9-14,17H,3-8,15-16,18H2,1-2H3