methyl 3-phenylmethoxy-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]butanoate

Systemtic Name: methyl 3-phenylmethoxy-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]butanoate Openeye Name: methyl 3-benzyloxy-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]butanoate CAS Name: 2-[[oxo-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]amino]-3-phenylmethoxybutanoic acid methyl ester IUPAC Name: methyl 3-phenylmethoxy-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]butanoate Traditional Name: 3-benzoxy-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoylamino]butyric acid methyl ester Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC)NC(=O)NC1=NNC(=S)S1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)OC)NC(=O)NC1=NNC(=S)S1)OCC2=CC=CC=C2

InChI

InChI=1S/C15H18N4O4S2/c1-9(23-8-10-6-4-3-5-7-10)11(12(20)22-2)16-13(21)17-14-18-19-15(24)25-14/h3-7,9,11H,8H2,1-2H3,(H,19,24)(H2,16,17,18,21)