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

Systemtic Name: heptyl 1-azanyl-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: heptyl 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid heptyl ester IUPAC Name: heptyl 1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-amino-5-ethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxylic acid heptyl ester Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)CC)N

Isomeric SMILES

CCCCCCCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)CC)N

InChI

InChI=1S/C21H30N2O2S/c1-3-5-6-7-10-13-25-21(24)19-18(22)17-15-12-9-8-11-14(15)16(4-2)23-20(17)26-19/h3-13,22H2,1-2H3