methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate

Systemtic Name: methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate Openeye Name: methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate CAS Name: 3-[4-[[2-(ethylideneamino)-1-oxopropyl]amino]phenyl]-2-(1-sulfanylideneethylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(ethanethioylamino)-3-[4-[2-(ethylideneamino)propanoylamino]phenyl]propanoate Traditional Name: 3-[4-[2-(ethylideneamino)propanoylamino]phenyl]-2-(thioacetylamino)propionic acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC=NC(C)C(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C

Isomeric SMILES

CC=NC(C)C(=O)NC1=CC=C(C=C1)CC(C(=O)OC)NC(=S)C

InChI

InChI=1S/C17H23N3O3S/c1-5-18-11(2)16(21)20-14-8-6-13(7-9-14)10-15(17(22)23-4)19-12(3)24/h5-9,11,15H,10H2,1-4H3,(H,19,24)(H,20,21)