tert-butyl 4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[[5-(2-methylthiazol-4-yl)-2-thienyl]sulfonyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[[5-(2-methyl-4-thiazolyl)-2-thiophenyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[[5-(2-methylthiazol-4-yl)-2-thienyl]sulfonyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H25N3O4S3 MolecularWeight: 443.6038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(S2)S(=O)(=O)N3CCCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O4S3/c1-13-19-14(12-26-13)15-6-7-16(27-15)28(23,24)21-9-5-8-20(10-11-21)17(22)25-18(2,3)4/h6-7,12H,5,8-11H2,1-4H3