ethyl 3-oxidanylidene-2-(phenylmethyl)-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propanoate

Systemtic Name: ethyl 3-oxidanylidene-2-(phenylmethyl)-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propanoate Openeye Name: ethyl 2-benzyl-3-oxo-3-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]propanoate CAS Name: 3-oxo-2-(phenylmethyl)-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-oxo-3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]propanoate Traditional Name: 2-benzyl-3-keto-3-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)amino]propionic acid ethyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=NNC(=S)S2

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(=O)NC2=NNC(=S)S2

InChI

InChI=1S/C14H15N3O3S2/c1-2-20-12(19)10(8-9-6-4-3-5-7-9)11(18)15-13-16-17-14(21)22-13/h3-7,10H,2,8H2,1H3,(H,17,21)(H,15,16,18)