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

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] 2,3-dimethoxybenzenecarbothioate CAS Name: 2,3-dimethoxybenzenecarbothioic 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-dimethoxybenzenecarbothioate Traditional Name: 2,3-dimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-4-8-15(19(22)24)23-20(25)13-9-5-6-12-17(13)29-21(26)14-10-7-11-16(27-2)18(14)28-3/h5-7,9-12,15H,4,8H2,1-3H3,(H2,22,24)(H,23,25)/t15-/m0/s1