methyl 2-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-azanyl-6-propan-2-yl-thieno[2,3-b]pyridin-2-yl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[(3-amino-6-propan-2-yl-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-amino-6-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[(3-amino-6-isopropyl-thieno[2,3-b]pyridine-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H20BrN3O3S2 MolecularWeight: 530.4572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O3S2/c1-11(2)16-9-8-14-18(25)19(32-21(14)26-16)20(28)27-22-17(23(29)30-3)15(10-31-22)12-4-6-13(24)7-5-12/h4-11H,25H2,1-3H3,(H,27,28)