methyl 4-[3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C28H29N3O4S/c1-5-6-15-30-26(33)22-9-7-8-10-24(22)29-28(30)36-17-25(32)23-16-18(2)31(19(23)3)21-13-11-20(12-14-21)27(34)35-4/h7-14,16H,5-6,15,17H2,1-4H3