S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NC(CCSC)C(=O)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)N[C@@H](CCSC)C(=O)N)OC)OC

InChI

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