methyl 2-[(3-methyl-1-benzothiophen-2-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(3-methyl-1-benzothiophen-2-yl)carbonyloxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-methylbenzothiophene-2-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(3-methyl-1-benzothiophen-2-yl)-oxomethoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methyl-1-benzothiophene-2-carbonyl)oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[(3-methylbenzothiophene-2-carbonyl)oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H16N2O5S/c1-11-13-5-3-4-6-16(13)29-18(11)21(26)28-10-17-22-15-9-12(20(25)27-2)7-8-14(15)19(24)23-17/h3-9H,10H2,1-2H3,(H,22,23,24)