methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-methoxypropyl)-4-oxidanylidene-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-methoxypropyl)-4-oxo-2-(2-oxocycloheptyl)sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(3-methoxypropyl)-4-oxo-2-[(2-oxocycloheptyl)thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-methoxypropyl)-4-oxo-2-(2-oxocycloheptyl)sulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-ketocycloheptyl)thio]-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC3CCCCCC3=O

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC3CCCCCC3=O

InChI

InChI=1S/C21H26N2O5S/c1-27-12-6-11-23-19(25)15-10-9-14(20(26)28-2)13-16(15)22-21(23)29-18-8-5-3-4-7-17(18)24/h9-10,13,18H,3-8,11-12H2,1-2H3