[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)OCC(=O)NC(=O)C2=CC=CS2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC(=O)NC(=O)C2=CC=CS2)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-3-4-9-22-17(19)13(12(2)21-22)7-8-16(24)26-11-15(23)20-18(25)14-6-5-10-27-14/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,23,25)/b8-7+