ethyl 2-[[[(E)-3-phenylprop-2-enylidene]amino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[[(E)-3-phenylprop-2-enylidene]amino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[[(E)-3-phenylprop-2-enylidene]amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[(E)-3-phenylprop-2-enylidene]amino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[[(E)-3-phenylprop-2-enylidene]amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-2-27-20(25)18-16-12-6-7-13-17(16)28-19(18)23-21(26)24-22-14-8-11-15-9-4-3-5-10-15/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H2,23,24,26)/b11-8+,22-14?