ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O6S2/c1-3-35-25(31)20-10-13-22-23(18-20)36-26(29(22)16-17-34-2)27-24(30)19-8-11-21(12-9-19)37(32,33)28-14-6-4-5-7-15-28/h8-13,18H,3-7,14-17H2,1-2H3