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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(SCCC(=O)N1)(C2=CC=CS2)NCCCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1(C(SCCC(=O)N1)(C2=CC=CS2)NCCCC3=CC=CC=C3)C(C)(C)C

InChI

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