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

Systemtic Name: ethyl 2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methyl-4-oxo-quinazolin-3-yl)methyl]-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylate CAS Name: 2-[(2-methyl-4-oxo-3-quinazolinyl)methyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-4-oxoquinazolin-3-yl)methyl]-3a,4,5,6,7,7a-hexahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-2-methyl-quinazolin-3-yl)methyl]-3a,4,5,6,7,7a-hexahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2C1CCCC2)CN3C(=NC4=CC=CC=C4C3=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2C1CCCC2)CN3C(=NC4=CC=CC=C4C3=O)C

InChI

InChI=1S/C21H24N2O3S/c1-3-26-21(25)19-15-9-5-7-11-17(15)27-18(19)12-23-13(2)22-16-10-6-4-8-14(16)20(23)24/h4,6,8,10,15,17H,3,5,7,9,11-12H2,1-2H3