ethyl 2-[2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H34N2O5S MolecularWeight: 474.61286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OC

InChI

InChI=1S/C25H34N2O5S/c1-6-31-19-13-12-17(14-20(19)30-5)15-27(4)16(3)23(28)26-24-22(25(29)32-7-2)18-10-8-9-11-21(18)33-24/h12-14,16H,6-11,15H2,1-5H3,(H,26,28)