[4-[(3-chloranyl-4-thiophen-2-ylcarbonyl-phenyl)amino]quinazolin-6-yl] ethanoate hydrochloride

Systemtic Name: [4-[(3-chloranyl-4-thiophen-2-ylcarbonyl-phenyl)amino]quinazolin-6-yl] ethanoate hydrochloride Openeye Name: [4-[3-chloro-4-(thiophene-2-carbonyl)anilino]quinazolin-6-yl] acetate hydrochloride CAS Name: acetic acid [4-[3-chloro-4-[oxo(thiophen-2-yl)methyl]anilino]-6-quinazolinyl] ester hydrochloride IUPAC Name: [4-[3-chloro-4-(thiophene-2-carbonyl)anilino]quinazolin-6-yl] acetate hydrochloride Traditional Name: acetic acid [4-[3-chloro-4-(2-thenoyl)anilino]quinazolin-6-yl] ester hydrochloride Formula: C21H15Cl2N3O3S MolecularWeight: 460.3331

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)C4=CC=CS4)Cl.Cl

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)C(=O)C4=CC=CS4)Cl.Cl

InChI

InChI=1S/C21H14ClN3O3S.ClH/c1-12(26)28-14-5-7-18-16(10-14)21(24-11-23-18)25-13-4-6-15(17(22)9-13)20(27)19-3-2-8-29-19;/h2-11H,1H3,(H,23,24,25);1H