methyl 3-(cyclopropylcarbonylamino)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-(cyclopropylcarbonylamino)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-(cyclopropanecarbonylamino)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[cyclopropyl(oxo)methyl]amino]-6-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-(cyclopropanecarbonylamino)-6-[(4-ethoxycarbonylpiperazin-1-yl)methyl]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 6-[(4-carbethoxypiperazino)methyl]-3-(cyclopropanecarbonylamino)thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C=C2)C(=C(S3)C(=O)OC)NC(=O)C4CC4

InChI

InChI=1S/C21H26N4O5S/c1-3-30-21(28)25-10-8-24(9-11-25)12-14-6-7-15-16(23-18(26)13-4-5-13)17(20(27)29-2)31-19(15)22-14/h6-7,13H,3-5,8-12H2,1-2H3,(H,23,26)