cyclohexyl 1-azanyl-5-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: cyclohexyl 1-azanyl-5-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: cyclohexyl 1-amino-5-(2-thienylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-amino-5-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 1-amino-5-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-amino-5-(2-thenyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxylic acid cyclohexyl ester Formula: C23H26N2O2S2 MolecularWeight: 426.59474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)CC5=CC=CS5)N

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)CC5=CC=CS5)N

InChI

InChI=1S/C23H26N2O2S2/c24-20-19-17-11-5-4-10-16(17)18(13-15-9-6-12-28-15)25-22(19)29-21(20)23(26)27-14-7-2-1-3-8-14/h6,9,12,14H,1-5,7-8,10-11,13,24H2