(phenylmethyl) 2-azanyl-3-(4-bromophenyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-3-(4-bromophenyl)carbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: benzyl 2-amino-3-(4-bromobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-amino-3-[(4-bromophenyl)-oxomethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-(4-bromobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-amino-3-(4-bromobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid benzyl ester Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C(=C(S2)N)C(=O)C3=CC=C(C=C3)Br)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C(=C(S2)N)C(=O)C3=CC=C(C=C3)Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H19BrN2O3S/c23-16-8-6-15(7-9-16)20(26)19-17-10-11-25(12-18(17)29-21(19)24)22(27)28-13-14-4-2-1-3-5-14/h1-9H,10-13,24H2