[3-(4-azanylidenebutylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-(phenacylamino)ethanoate

Systemtic Name: [3-(4-azanylidenebutylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-(phenacylamino)ethanoate Openeye Name: [3-(4-iminobutylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl] 2-(phenacylamino)acetate CAS Name: 2-(phenacylamino)acetic acid [3-(4-iminobutylthio)-2,5-dioxo-1-pyrrolidinyl] ester IUPAC Name: [3-(4-iminobutylsulfanyl)-2,5-dioxopyrrolidin-1-yl] 2-(phenacylamino)acetate Traditional Name: 2-(phenacylamino)acetic acid [3-(4-iminobutylthio)-2,5-diketo-pyrrolidino] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CNCC(=O)C2=CC=CC=C2)SCCCC=N

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CNCC(=O)C2=CC=CC=C2)SCCCC=N

InChI

InChI=1S/C18H21N3O5S/c19-8-4-5-9-27-15-10-16(23)21(18(15)25)26-17(24)12-20-11-14(22)13-6-2-1-3-7-13/h1-3,6-8,15,19-20H,4-5,9-12H2