methyl 1-[2-[[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-[[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-[[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]amino]-2-oxo-ethyl]indole-3-carboxylate CAS Name: 1-[2-[[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]amino]-2-oxoethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]indole-3-carboxylate Traditional Name: 1-[2-[[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]amino]-2-keto-ethyl]indole-3-carboxylic acid methyl ester Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C20H17BrN4O3S/c1-28-20(27)16-10-24(17-5-3-2-4-15(16)17)11-19(26)23-18-6-7-22-25(18)9-14-8-13(21)12-29-14/h2-8,10,12H,9,11H2,1H3,(H,23,26)