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

Systemtic Name: ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H33N3O6S2/c1-3-35-18-17-30-23-14-11-21(26(32)36-4-2)19-24(23)37-27(30)28-25(31)20-9-12-22(13-10-20)38(33,34)29-15-7-5-6-8-16-29/h9-14,19H,3-8,15-18H2,1-2H3