tert-butyl 7-[4-(4-methylphenoxy)phenyl]-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate

Systemtic Name: tert-butyl 7-[4-(4-methylphenoxy)phenyl]-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate Openeye Name: tert-butyl 7-[4-(4-methylphenoxy)phenyl]-1,1-dioxo-1,4-thiazepane-4-carboxylate CAS Name: 7-[4-(4-methylphenoxy)phenyl]-1,1-dioxo-1,4-thiazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-(4-methylphenoxy)phenyl]-1,1-dioxo-1,4-thiazepane-4-carboxylate Traditional Name: 1,1-diketo-7-[4-(4-methylphenoxy)phenyl]-1,4-thiazepane-4-carboxylic acid tert-butyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3CCN(CCS3(=O)=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3CCN(CCS3(=O)=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29NO5S/c1-17-5-9-19(10-6-17)28-20-11-7-18(8-12-20)21-13-14-24(15-16-30(21,26)27)22(25)29-23(2,3)4/h5-12,21H,13-16H2,1-4H3