ethyl 4-(2-methylpropyl)-2-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-(2-quinazolin-4-ylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3S2/c1-4-27-21(26)18-14(9-13(2)3)10-28-20(18)24-17(25)11-29-19-15-7-5-6-8-16(15)22-12-23-19/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,24,25)