methyl 4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[(2S)-2-(2-naphthyloxy)propanoyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2S)-2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[(2S)-2-(2-naphthoxy)propanoyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)CCC(=O)OC)OC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NC(=O)CCC(=O)OC)OC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C19H21N3O5S/c1-12(27-15-8-7-13-5-3-4-6-14(13)11-15)18(25)21-22-19(28)20-16(23)9-10-17(24)26-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)(H2,20,22,23,28)/t12-/m0/s1