[2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-[(5-bromo-3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=CC=NN3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)COC(=O)C3=CC=NN3

InChI

InChI=1S/C19H16BrN3O5S/c1-2-27-19(26)15-14(11-6-4-3-5-7-11)16(20)29-17(15)22-13(24)10-28-18(25)12-8-9-21-23-12/h3-9H,2,10H2,1H3,(H,21,23)(H,22,24)