methyl 2-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-11-3-6-16-13(7-11)9-17(29-16)21(26)28-10-18-22-15-8-12(20(25)27-2)4-5-14(15)19(24)23-18/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,22,23,24)/t11-/m0/s1