methyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H15N3O3S2/c1-12-15(11-23)21(30-19(12)22(27)28-2)25-20(26)14-10-17(18-8-5-9-29-18)24-16-7-4-3-6-13(14)16/h3-10H,1-2H3,(H,25,26)