1,3-bis[[2-(2-chloranylethanoylamino)phenyl]sulfanyl]propan-2-yl 2-chloranylethanoate

Systemtic Name: 1,3-bis[[2-(2-chloranylethanoylamino)phenyl]sulfanyl]propan-2-yl 2-chloranylethanoate Openeye Name: [2-[2-[(2-chloroacetyl)amino]phenyl]sulfanyl-1-[[2-[(2-chloroacetyl)amino]phenyl]sulfanylmethyl]ethyl] 2-chloroacetate CAS Name: 2-chloroacetic acid 1,3-bis[[2-[(2-chloro-1-oxoethyl)amino]phenyl]thio]propan-2-yl ester IUPAC Name: 1,3-bis[[2-[(2-chloroacetyl)amino]phenyl]sulfanyl]propan-2-yl 2-chloroacetate Traditional Name: 2-chloroacetic acid [2-[[2-[(2-chloroacetyl)amino]phenyl]thio]-1-[[[2-[(2-chloroacetyl)amino]phenyl]thio]methyl]ethyl] ester Formula: C21H21Cl3N2O4S2 MolecularWeight: 535.89144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCl)SCC(CSC2=CC=CC=C2NC(=O)CCl)OC(=O)CCl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCl)SCC(CSC2=CC=CC=C2NC(=O)CCl)OC(=O)CCl

InChI

InChI=1S/C21H21Cl3N2O4S2/c22-9-19(27)25-15-5-1-3-7-17(15)31-12-14(30-21(29)11-24)13-32-18-8-4-2-6-16(18)26-20(28)10-23/h1-8,14H,9-13H2,(H,25,27)(H,26,28)