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

Systemtic Name: 2-methoxyethyl 4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[(2S)-2-(2-naphthoxy)propanoyl]amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-14(30-17-8-7-15-5-3-4-6-16(15)13-17)20(27)23-24-21(31)22-18(25)9-10-19(26)29-12-11-28-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)(H2,22,24,25,31)/t14-/m0/s1