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

Systemtic Name: ethyl 2-[(4-acetyloxy-3-methyl-5-oxidanylidene-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(4-acetoxy-3-methyl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-3-methyl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-3-methyl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(4-acetoxy-5-keto-3-methyl-1,4-thiazepan-6-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-4-26-20(25)17(11-10-16-8-6-5-7-9-16)21-18-13-28-12-14(2)22(19(18)24)27-15(3)23/h5-9,14,17-18,21H,4,10-13H2,1-3H3