methyl 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylcarbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylcarbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylcarbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(3-butyl-4-oxo-2-quinazolinyl)thio]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylcarbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C22H23N3O4S2/c1-3-4-12-25-19(26)13-8-5-6-10-15(13)23-21(25)31-22(28)24-18-17(20(27)29-2)14-9-7-11-16(14)30-18/h5-6,8,10H,3-4,7,9,11-12H2,1-2H3,(H,24,28)