ethyl 2-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-azanyl-6-butyl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-amino-6-butyl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-amino-6-butylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-amino-6-butyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OCC)N

Isomeric SMILES

CCCCC1=NC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=CS3)C4=CC=C(C=C4)OC)C(=O)OCC)N

InChI

InChI=1S/C26H27N3O4S2/c1-4-6-7-16-10-13-18-21(27)22(35-24(18)28-16)23(30)29-25-20(26(31)33-5-2)19(14-34-25)15-8-11-17(32-3)12-9-15/h8-14H,4-7,27H2,1-3H3,(H,29,30)