4-[(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate Openeye Name: 4-[(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxylate CAS Name: 4-[(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarboxylate Formula: C16H16ClN2O3S- MolecularWeight: 351.82784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=C(C=C(C=C3)Cl)NC2=S)C(=O)[O-]

InChI

InChI=1S/C16H17ClN2O3S/c17-11-5-6-12-13(7-11)18-16(23)19(14(12)20)8-9-1-3-10(4-2-9)15(21)22/h5-7,9-10H,1-4,8H2,(H,18,23)(H,21,22)/p-1