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

Systemtic Name: methyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3-(2-methoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C25H27N3O7S2 MolecularWeight: 545.62778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)C(=O)OC)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H27N3O7S2/c1-34-22(29)16-28-20-12-9-18(24(31)35-2)15-21(20)36-25(28)26-23(30)17-7-10-19(11-8-17)37(32,33)27-13-5-3-4-6-14-27/h7-12,15H,3-6,13-14,16H2,1-2H3