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

Systemtic Name: tert-butyl 7-[4-(4-ethylphenoxy)phenyl]-1,1-bis(oxidanylidene)-1,4-thiazepane-4-carboxylate Openeye Name: tert-butyl 7-[4-(4-ethylphenoxy)phenyl]-1,1-dioxo-1,4-thiazepane-4-carboxylate CAS Name: 7-[4-(4-ethylphenoxy)phenyl]-1,1-dioxo-1,4-thiazepane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-(4-ethylphenoxy)phenyl]-1,1-dioxo-1,4-thiazepane-4-carboxylate Traditional Name: 7-[4-(4-ethylphenoxy)phenyl]-1,1-diketo-1,4-thiazepane-4-carboxylic acid tert-butyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)C3CCN(CCS3(=O)=O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=CC=C(C=C2)C3CCN(CCS3(=O)=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H31NO5S/c1-5-18-6-10-20(11-7-18)29-21-12-8-19(9-13-21)22-14-15-25(16-17-31(22,27)28)23(26)30-24(2,3)4/h6-13,22H,5,14-17H2,1-4H3