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

Systemtic Name: ethyl 2-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(3-benzyloxyphenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-phenylmethoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(3-benzoxybenzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O4S/c1-2-32-25(30)23-21-13-6-7-14-22(21)34-24(23)28-26(31)29-27-16-19-11-8-12-20(15-19)33-17-18-9-4-3-5-10-18/h3-5,8-12,15-16H,2,6-7,13-14,17H2,1H3,(H2,28,29,31)