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

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate CAS Name: 2,3-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate Traditional Name: 2,3-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]phenyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-13(2)12-16(20(23)25)24-21(26)14-8-5-6-11-18(14)30-22(27)15-9-7-10-17(28-3)19(15)29-4/h5-11,13,16H,12H2,1-4H3,(H2,23,25)(H,24,26)/t16-/m0/s1