methyl 1-azanyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: methyl 1-azanyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)CCC4=CC=CC=C4)N

Isomeric SMILES

COC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)CCC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N2O2S/c1-25-21(24)19-18(22)17-15-10-6-5-9-14(15)16(23-20(17)26-19)12-11-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,22H2,1H3