(4-methylphenyl) 1-azanyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: (4-methylphenyl) 1-azanyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: p-tolyl 1-amino-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-amino-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1-amino-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-amino-5-phenethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxylic acid p-tolyl ester Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)CCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=C(C3=C4CCCCC4=C(N=C3S2)CCC5=CC=CC=C5)N

InChI

InChI=1S/C27H26N2O2S/c1-17-11-14-19(15-12-17)31-27(30)25-24(28)23-21-10-6-5-9-20(21)22(29-26(23)32-25)16-13-18-7-3-2-4-8-18/h2-4,7-8,11-12,14-15H,5-6,9-10,13,16,28H2,1H3