methyl 2-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H23N3O4S2/c1-3-25-20(27)13-8-4-6-10-15(13)23-22(25)30-12-17(26)24-19-18(21(28)29-2)14-9-5-7-11-16(14)31-19/h4,6,8,10H,3,5,7,9,11-12H2,1-2H3,(H,24,26)