ethyl (E)-4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[[(2S)-2-(2-naphthyloxy)propanoyl]amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(2S)-2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[[(2S)-2-(2-naphthoxy)propanoyl]amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-3-27-18(25)11-10-17(24)21-20(29)23-22-19(26)13(2)28-16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,3H2,1-2H3,(H,22,26)(H2,21,23,24,29)/b11-10+/t13-/m0/s1