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

Systemtic Name: ethyl 2-[(3-phenylmethoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-benzyloxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(3-phenylmethoxyphenyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-phenylmethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-benzoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO4S/c1-2-29-25(28)22-20-13-6-7-14-21(20)31-24(22)26-23(27)18-11-8-12-19(15-18)30-16-17-9-4-3-5-10-17/h3-5,8-12,15H,2,6-7,13-14,16H2,1H3,(H,26,27)