ethyl 3,5-dimethyl-4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C)C

InChI

InChI=1S/C20H21N3O4S/c1-5-27-19(26)17-11(2)16(12(3)21-17)15(24)10-28-20-22-14-9-7-6-8-13(14)18(25)23(20)4/h6-9,21H,5,10H2,1-4H3