(E)-4-oxidanylidene-4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate Openeye Name: (E)-4-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-oxo-4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]-2-butenoate IUPAC Name: (E)-4-oxo-4-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]but-2-enoate Traditional Name: (E)-4-[[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-keto-but-2-enoate Formula: C11H14N3O3S- MolecularWeight: 268.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C=CC(=O)[O-]

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C11H15N3O3S/c1-3-7(4-2)10-13-14-11(18-10)12-8(15)5-6-9(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)(H,12,14,15)/p-1/b6-5+