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

Systemtic Name: methyl 2-(2-quinazolin-4-ylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(quinazolin-4-ylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N3O3S2/c1-26-20(25)17-13-7-3-5-9-15(13)28-19(17)23-16(24)10-27-18-12-6-2-4-8-14(12)21-11-22-18/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,23,24)