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

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(5-amyl-1,3,4-thiadiazol-2-yl)amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H21N3O3S/c1-3-4-5-6-16-20-21-18(25-16)19-15(22)12-9-13-7-10-14(11-8-13)17(23)24-2/h7-12H,3-6H2,1-2H3,(H,19,21,22)/b12-9+