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

Systemtic Name: ethyl 3-methyl-4-thiocyanato-5-[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(2-thienyl)quinoline-4-carbonyl]amino]-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-thiocyanato-5-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(2-thienyl)quinoline-4-carbonyl]amino]-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C23H17N3O3S3 MolecularWeight: 479.59438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)SC#N)C

InChI

InChI=1S/C23H17N3O3S3/c1-3-29-23(28)20-13(2)19(31-12-24)22(32-20)26-21(27)15-11-17(18-9-6-10-30-18)25-16-8-5-4-7-14(15)16/h4-11H,3H2,1-2H3,(H,26,27)