2-[(Z)-1-chloranyl-2-(5-phenylthiophen-2-yl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(5-phenylthiophen-2-yl)ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(5-phenyl-2-thienyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(5-phenyl-2-thiophenyl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(5-phenylthiophen-2-yl)ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(5-phenyl-2-thienyl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C21H13ClN2O3S MolecularWeight: 408.85752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)C=C(C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)/C=C(/C3=NC(=O)C4=C(N3)C=C(C=C4)C(=O)O)\Cl

InChI

InChI=1S/C21H13ClN2O3S/c22-16(11-14-7-9-18(28-14)12-4-2-1-3-5-12)19-23-17-10-13(21(26)27)6-8-15(17)20(25)24-19/h1-11H,(H,26,27)(H,23,24,25)/b16-11-