methyl 3-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C21H21N3O4S2/c1-28-20(27)18-16(10-11-29-18)22-17(25)12-30-21-23-15-9-5-4-8-14(15)19(26)24(21)13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,22,25)