methyl 2-(2-quinazolin-4-ylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-quinazolin-4-ylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(quinazolin-4-ylthio)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3S2/c1-27-21(26)18-14-8-3-2-4-10-16(14)29-20(18)24-17(25)11-28-19-13-7-5-6-9-15(13)22-12-23-19/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,24,25)