ethyl 3-tert-butyl-5-oxidanylidene-2-(3-phenylpropylamino)-2-thiophen-3-yl-1,4-thiazepane-3-carboxylate

Systemtic Name: ethyl 3-tert-butyl-5-oxidanylidene-2-(3-phenylpropylamino)-2-thiophen-3-yl-1,4-thiazepane-3-carboxylate Openeye Name: ethyl 3-tert-butyl-5-oxo-2-(3-phenylpropylamino)-2-(3-thienyl)-1,4-thiazepane-3-carboxylate CAS Name: 3-tert-butyl-5-oxo-2-(3-phenylpropylamino)-2-(3-thiophenyl)-1,4-thiazepane-3-carboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butyl-5-oxo-2-(3-phenylpropylamino)-2-thiophen-3-yl-1,4-thiazepane-3-carboxylate Traditional Name: 3-tert-butyl-5-keto-2-(3-phenylpropylamino)-2-(3-thienyl)-1,4-thiazepane-3-carboxylic acid ethyl ester Formula: C25H34N2O3S2 MolecularWeight: 474.67906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(SCCC(=O)N1)(C2=CSC=C2)NCCCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1(C(SCCC(=O)N1)(C2=CSC=C2)NCCCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C25H34N2O3S2/c1-5-30-22(29)24(23(2,3)4)25(20-13-16-31-18-20,32-17-14-21(28)27-24)26-15-9-12-19-10-7-6-8-11-19/h6-8,10-11,13,16,18,26H,5,9,12,14-15,17H2,1-4H3,(H,27,28)