S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate CAS Name: 2,5-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate Traditional Name: 2,5-dimethoxythiobenzoic acid S-[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=C(C=CC(=C2)OC)OC

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C19H20N2O5S/c1-11(17(20)22)21-18(23)13-6-4-5-7-16(13)27-19(24)14-10-12(25-2)8-9-15(14)26-3/h4-11H,1-3H3,(H2,20,22)(H,21,23)/t11-/m0/s1