(phenylmethyl) 4-(3-azanyl-2-ethanoyl-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-azanyl-2-ethanoyl-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(2-acetyl-3-amino-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate CAS Name: 4-(2-acetyl-3-amino-4-thieno[2,3-b]pyridinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-acetyl-3-aminothieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(2-acetyl-3-amino-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylic acid benzyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CN=C2S1)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CN=C2S1)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N4O3S/c1-14(26)19-18(22)17-16(7-8-23-20(17)29-19)24-9-11-25(12-10-24)21(27)28-13-15-5-3-2-4-6-15/h2-8H,9-13,22H2,1H3