ethyl 2-[[(5-bromanylfuran-2-yl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(5-bromanylfuran-2-yl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(5-bromo-2-furyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(5-bromo-2-furanyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5-bromofuran-2-yl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(5-bromo-2-furyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H18BrN3O4S MolecularWeight: 440.31152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC=C(O3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC=C(O3)Br

InChI

InChI=1S/C17H18BrN3O4S/c1-2-24-16(22)14-11-5-3-4-6-12(11)26-15(14)20-17(23)21-19-9-10-7-8-13(18)25-10/h7-9H,2-6H2,1H3,(H2,20,21,23)