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

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate CAS Name: 2,3-dimethoxybenzenecarbothioic 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-dimethoxybenzenecarbothioate Traditional Name: 2,3-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]phenyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)SC2=CC=CC=C2C(=O)NC(CCSC)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)SC2=CC=CC=C2C(=O)N[C@@H](CCSC)C(=O)N

InChI

InChI=1S/C21H24N2O5S2/c1-27-16-9-6-8-14(18(16)28-2)21(26)30-17-10-5-4-7-13(17)20(25)23-15(19(22)24)11-12-29-3/h4-10,15H,11-12H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1