ethyl 2-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-cyclopropylquinazolin-4-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-cyclopropylquinazolin-4-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2-cyclopropylquinazolin-4-yl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C26H23N3O3S2/c1-2-32-26(31)22-19(16-8-4-3-5-9-16)14-33-25(22)28-21(30)15-34-24-18-10-6-7-11-20(18)27-23(29-24)17-12-13-17/h3-11,14,17H,2,12-13,15H2,1H3,(H,28,30)