propan-2-yl 6-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 6-methyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 6-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H25N3O3S2 MolecularWeight: 455.5929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3S2/c1-13(2)29-23(28)20-16-9-8-14(3)10-18(16)31-22(20)26-19(27)11-30-21-15-6-4-5-7-17(15)24-12-25-21/h4-7,12-14H,8-11H2,1-3H3,(H,26,27)