methyl 4-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoate CAS Name: 4-[[(3-amino-6-butyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate Traditional Name: 4-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C20H21N3O3S/c1-3-4-5-13-10-11-15-16(21)17(27-19(15)23-13)18(24)22-14-8-6-12(7-9-14)20(25)26-2/h6-11H,3-5,21H2,1-2H3,(H,22,24)