methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1)C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c1-16-13-21(17(2)27-16)23(30)15-34-26-28-22-14-19(25(32)33-3)9-10-20(22)24(31)29(26)12-11-18-7-5-4-6-8-18/h4-10,13-14,27H,11-12,15H2,1-3H3