ethyl (2R)-2-azanyl-3-[1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-azanyl-3-[1-(4-hexoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoate Openeye Name: ethyl (2R)-2-amino-3-[1-(4-hexoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoate CAS Name: (2R)-2-amino-3-[[1-(4-hexoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-amino-3-[1-(4-hexoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoate Traditional Name: (2R)-2-amino-3-[[1-(4-hexoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)OCC)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC[C@@H](C(=O)OCC)N

InChI

InChI=1S/C21H30N2O5S/c1-3-5-6-7-12-28-16-10-8-15(9-11-16)23-19(24)13-18(20(23)25)29-14-17(22)21(26)27-4-2/h8-11,17-18H,3-7,12-14,22H2,1-2H3/t17-,18?/m0/s1