ethyl 5-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H28ClN3O4S MolecularWeight: 490.01482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C)C

InChI

InChI=1S/C24H28ClN3O4S/c1-6-32-23(31)20-14(4)21(26-15(20)5)19(29)12-33-24-27-18-11-16(25)7-8-17(18)22(30)28(24)10-9-13(2)3/h7-8,11,13,26H,6,9-10,12H2,1-5H3