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

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate CAS Name: 2,3,4-trimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxopentan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopentan-2-yl]carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate Traditional Name: 2,3,4-trimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-5-8-15(20(23)25)24-21(26)13-9-6-7-10-17(13)31-22(27)14-11-12-16(28-2)19(30-4)18(14)29-3/h6-7,9-12,15H,5,8H2,1-4H3,(H2,23,25)(H,24,26)/t15-/m0/s1