ethyl 2-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-bromophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C21H20BrN3O3S/c1-3-28-21(27)18-15-5-4-6-17(15)29-19(18)23-11-16-12(2)24-25(20(16)26)14-9-7-13(22)8-10-14/h7-11,23H,3-6H2,1-2H3