methyl 4-[(E)-3-oxidanylidene-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H17N3O3S/c1-3-4-14-18-19-16(23-14)17-13(20)10-7-11-5-8-12(9-6-11)15(21)22-2/h5-10H,3-4H2,1-2H3,(H,17,19,20)/b10-7+