methyl 5-[(3-azanylthieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[(3-azanylthieno[2,3-b]pyridin-2-yl)carbonylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[(3-aminothieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoate CAS Name: 5-[[(3-amino-2-thieno[2,3-b]pyridinyl)-oxomethyl]amino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[(3-aminothieno[2,3-b]pyridine-2-carbonyl)amino]-2-chlorobenzoate Traditional Name: 5-[(3-aminothieno[2,3-b]pyridine-2-carbonyl)amino]-2-chloro-benzoic acid methyl ester Formula: C16H12ClN3O3S MolecularWeight: 361.80278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)N=CC=C3)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C3=C(S2)N=CC=C3)N)Cl

InChI

InChI=1S/C16H12ClN3O3S/c1-23-16(22)10-7-8(4-5-11(10)17)20-14(21)13-12(18)9-3-2-6-19-15(9)24-13/h2-7H,18H2,1H3,(H,20,21)