S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate CAS Name: 2,4,5-trimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Traditional Name: 2,4,5-trimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]phenyl] ester Formula: C22H26N2O6S2 MolecularWeight: 478.58164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)SC2=CC=CC=C2C(=O)NC(CCSC)C(=O)N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)SC2=CC=CC=C2C(=O)N[C@@H](CCSC)C(=O)N)OC)OC

InChI

InChI=1S/C22H26N2O6S2/c1-28-16-12-18(30-3)17(29-2)11-14(16)22(27)32-19-8-6-5-7-13(19)21(26)24-15(20(23)25)9-10-31-4/h5-8,11-12,15H,9-10H2,1-4H3,(H2,23,25)(H,24,26)/t15-/m0/s1