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

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate CAS Name: 2,5-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxobutan-2-yl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate Traditional Name: 2,5-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-4-15(18(21)23)22-19(24)13-7-5-6-8-17(13)28-20(25)14-11-12(26-2)9-10-16(14)27-3/h5-11,15H,4H2,1-3H3,(H2,21,23)(H,22,24)/t15-/m0/s1