ethyl 2-[[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-iodophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-iodophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-(4-iodophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-iodophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(4-iodophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22IN3O3S MolecularWeight: 535.39785

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)I)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=NN(C3=O)C4=CC=C(C=C4)I)C

InChI

InChI=1S/C22H22IN3O3S/c1-3-29-22(28)19-16-6-4-5-7-18(16)30-20(19)24-12-17-13(2)25-26(21(17)27)15-10-8-14(23)9-11-15/h8-12,24H,3-7H2,1-2H3