methyl 2-[2-[[2-(dimethylamino)-2-phenyl-ethyl]amino]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[[2-(dimethylamino)-2-phenyl-ethyl]amino]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[2-(dimethylamino)-2-phenyl-ethyl]amino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[[2-(dimethylamino)-2-phenylethyl]amino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[2-(dimethylamino)-2-phenyl-ethyl]amino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(CNCC(=O)NC1=C(C2=C(S1)CCCCC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-26(2)18(16-10-6-4-7-11-16)14-24-15-20(27)25-22-21(23(28)29-3)17-12-8-5-9-13-19(17)30-22/h4,6-7,10-11,18,24H,5,8-9,12-15H2,1-3H3,(H,25,27)