tert-butyl 2-[7-(5-naphthalen-2-ylthiophen-2-yl)-1,1-bis(oxidanylidene)-1,4-thiazepan-7-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-(5-naphthalen-2-ylthiophen-2-yl)-1,1-bis(oxidanylidene)-1,4-thiazepan-7-yl]ethanoate Openeye Name: tert-butyl 2-[7-[5-(2-naphthyl)-2-thienyl]-1,1-dioxo-1,4-thiazepan-7-yl]acetate CAS Name: 2-[7-[5-(2-naphthalenyl)-2-thiophenyl]-1,1-dioxo-1,4-thiazepan-7-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-(5-naphthalen-2-ylthiophen-2-yl)-1,1-dioxo-1,4-thiazepan-7-yl]acetate Traditional Name: 2-[1,1-diketo-7-[5-(2-naphthyl)-2-thienyl]-1,4-thiazepan-7-yl]acetic acid tert-butyl ester Formula: C25H29NO4S2 MolecularWeight: 471.63206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCNCCS1(=O)=O)C2=CC=C(S2)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCNCCS1(=O)=O)C2=CC=C(S2)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H29NO4S2/c1-24(2,3)30-23(27)17-25(12-13-26-14-15-32(25,28)29)22-11-10-21(31-22)20-9-8-18-6-4-5-7-19(18)16-20/h4-11,16,26H,12-15,17H2,1-3H3