phenyl 1-azanyl-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-azanyl-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: phenyl 1-amino-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid phenyl ester IUPAC Name: phenyl 1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-amino-5-(2-thienyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxylic acid phenyl ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)OC4=CC=CC=C4)N)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)OC4=CC=CC=C4)N)C5=CC=CS5

InChI

InChI=1S/C22H18N2O2S2/c23-18-17-14-9-4-5-10-15(14)19(16-11-6-12-27-16)24-21(17)28-20(18)22(25)26-13-7-2-1-3-8-13/h1-3,6-8,11-12H,4-5,9-10,23H2