methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23N3O6S/c1-3-4-9-26-21(28)16-7-5-14(22(29)30-2)10-17(16)25-23(26)33-12-20(27)24-15-6-8-18-19(11-15)32-13-31-18/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H,24,27)