ethyl 2-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]oxy-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CONC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CONC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-2-27-20(26)18-14-5-3-4-6-16(14)29-19(18)23-17(25)11-28-22-10-12-9-13(21)7-8-15(12)24/h7-10,22H,2-6,11H2,1H3,(H,23,25)