ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3,4-dimethyl-thiazole-5-carboxylate CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)S1)C)C

InChI

InChI=1S/C21H27N3O5S2/c1-4-29-20(26)18-15(2)23(3)21(30-18)22-19(25)16-9-11-17(12-10-16)31(27,28)24-13-7-5-6-8-14-24/h9-12H,4-8,13-14H2,1-3H3