[4-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylsulfanyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylsulfanyl]phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-[2-(2,5-dioxo-1-pyrrolidinyl)ethylthio]phenyl] ester IUPAC Name: [4-[2-(2,5-dioxopyrrolidin-1-yl)ethylsulfanyl]phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-succinimidoethylthio)phenyl] ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1CC(=O)N(C1=O)CCSC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C20H20N4O4S/c21-20(22)23-14-3-1-13(2-4-14)19(27)28-15-5-7-16(8-6-15)29-12-11-24-17(25)9-10-18(24)26/h1-8H,9-12H2,(H4,21,22,23)