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

Systemtic Name: methyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H27N3O5S2 MolecularWeight: 501.61828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O5S2/c1-3-27-20-13-10-18(23(29)32-2)16-21(20)33-24(27)25-22(28)17-8-11-19(12-9-17)34(30,31)26-14-6-4-5-7-15-26/h8-13,16H,3-7,14-15H2,1-2H3