ethyl 3-azanyl-4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-5-cyano-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-azanyl-4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]-5-cyano-6-oxidanylidene-7H-thieno[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-amino-4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-cyano-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-amino-4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-cyano-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-cyano-6-oxo-7H-thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-amino-4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-5-cyano-6-keto-7H-thieno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C18H13ClN4O5S MolecularWeight: 432.83762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC(=O)C(=C2NC3=C(C=CC4=C3OCO4)Cl)C#N)N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC(=O)C(=C2NC3=C(C=CC4=C3OCO4)Cl)C#N)N

InChI

InChI=1S/C18H13ClN4O5S/c1-2-26-18(25)15-11(21)10-12(7(5-20)16(24)23-17(10)29-15)22-13-8(19)3-4-9-14(13)28-6-27-9/h3-4H,2,6,21H2,1H3,(H2,22,23,24)