ethyl 2-[[4-acetyloxy-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate

Systemtic Name: ethyl 2-[[4-acetyloxy-5-oxidanylidene-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(4-acetoxy-3-benzyl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate CAS Name: 2-[[4-acetyloxy-5-oxo-3-(phenylmethyl)-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-3-benzyl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(4-acetoxy-3-benzyl-5-keto-1,4-thiazepan-6-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)OC(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCC(N(C2=O)OC(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O5S/c1-3-32-26(31)23(15-14-20-10-6-4-7-11-20)27-24-18-34-17-22(16-21-12-8-5-9-13-21)28(25(24)30)33-19(2)29/h4-13,22-24,27H,3,14-18H2,1-2H3