ethyl 2-[(2-methyl-2-phenoxy-propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-methyl-2-phenoxy-propanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methyl-2-phenoxy-propanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-methyl-1-oxo-2-phenoxypropyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-2-phenoxypropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-methyl-2-phenoxy-propanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)(C)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)(C)OC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c1-4-25-19(23)17-15-12-8-9-13-16(15)27-18(17)22-20(24)21(2,3)26-14-10-6-5-7-11-14/h5-7,10-11H,4,8-9,12-13H2,1-3H3,(H,22,24)