ethyl 2-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-keto-5-(3-phenylpropoxy)pentanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO5S/c1-2-30-25(29)23-19-13-6-7-14-20(19)32-24(23)26-21(27)15-8-16-22(28)31-17-9-12-18-10-4-3-5-11-18/h3-5,10-11H,2,6-9,12-17H2,1H3,(H,26,27)