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

Systemtic Name: ethyl 2-[[5-oxidanylidene-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1,5-dioxo-5-(3-phenylpropoxy)pentyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-oxo-5-(3-phenylpropoxy)pentanoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-keto-5-(3-phenylpropoxy)pentanoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H32N2O5S2 MolecularWeight: 516.67268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S2/c1-2-32-25(31)23-19-13-6-7-14-20(19)35-24(23)28-26(34)27-21(29)15-8-16-22(30)33-17-9-12-18-10-4-3-5-11-18/h3-5,10-11H,2,6-9,12-17H2,1H3,(H2,27,28,29,34)