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

Systemtic Name: ethyl 2-[(4-acetyloxy-5-oxidanylidene-3-propan-2-yl-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[(4-acetoxy-3-isopropyl-5-oxo-1,4-thiazepan-6-yl)amino]-4-phenyl-butanoate CAS Name: 2-[(4-acetyloxy-5-oxo-3-propan-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-acetyloxy-5-oxo-3-propan-2-yl-1,4-thiazepan-6-yl)amino]-4-phenylbutanoate Traditional Name: 2-[(4-acetoxy-3-isopropyl-5-keto-1,4-thiazepan-6-yl)amino]-4-phenyl-butyric acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-5-28-22(27)18(12-11-17-9-7-6-8-10-17)23-19-13-30-14-20(15(2)3)24(21(19)26)29-16(4)25/h6-10,15,18-20,23H,5,11-14H2,1-4H3