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

Systemtic Name: ethyl 2-[[4-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate Openeye Name: ethyl 2-[[4-(2-methoxy-2-oxo-ethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenyl-butanoate CAS Name: 2-[[4-(2-methoxy-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methoxy-2-oxoethyl)-5-oxo-1,4-thiazepan-6-yl]amino]-4-phenylbutanoate Traditional Name: 2-[[5-keto-4-(2-keto-2-methoxy-ethyl)-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)NC2CSCCN(C2=O)CC(=O)OC

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2CSCCN(C2=O)CC(=O)OC

InChI

InChI=1S/C20H28N2O5S/c1-3-27-20(25)16(10-9-15-7-5-4-6-8-15)21-17-14-28-12-11-22(19(17)24)13-18(23)26-2/h4-8,16-17,21H,3,9-14H2,1-2H3